#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koc s ARG 2 N 0.00 2.56 0.06 2.12 0.52 -0.83 -0.46 118.95 122.92 3koc s ARG 2 Ca 0.00 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3koc s ARG 2 Cb 0.00 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 3koc s ARG 2 CO 0.00 0.12 -0.19 0.54 0.02 0.00 0.00 175.30 175.79 3koc s VAL 3 N 0.47 1.56 -0.32 3.52 0.11 0.37 -1.01 120.40 125.10 3koc s VAL 3 Ca -0.17 -1.26 -0.00 0.00 -2.93 0.00 0.00 61.98 57.62 3koc s VAL 3 Cb -0.17 -1.39 0.07 0.00 -1.53 0.00 0.00 36.38 33.36 3koc s VAL 3 CO 0.07 0.08 0.03 -0.69 -3.33 0.00 0.00 175.10 171.26 3koc s VAL 4 N -0.93 2.79 0.18 2.04 1.01 -0.46 -2.46 120.40 122.58 3koc s VAL 4 Ca 0.06 -1.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 3koc s VAL 4 Cb -0.09 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 3koc s VAL 4 CO 0.02 -0.28 0.57 -0.63 0.00 0.00 0.00 175.10 174.78 3koc s ILE 5 N 1.15 4.85 -0.17 2.22 1.01 -0.06 -1.17 121.20 129.03 3koc s ILE 5 Ca -0.01 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.36 3koc s ILE 5 Cb -0.20 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.64 3koc s ILE 5 CO -0.03 0.14 0.35 -1.10 0.00 0.00 0.00 174.94 174.29 3koc s GLN 6 N -2.23 0.24 0.34 2.79 -0.21 -0.84 -1.11 119.66 118.64 3koc s GLN 6 Ca 0.41 0.90 -0.27 0.00 0.02 0.00 0.00 55.36 56.42 3koc s GLN 6 Cb -0.14 0.15 -0.09 0.00 1.00 0.00 0.00 33.01 33.93 3koc s GLN 6 CO 0.20 -0.27 1.09 0.50 -2.12 0.00 0.00 175.29 174.68 3koc s ARG 7 N 2.52 4.37 -0.00 2.91 3.52 -0.50 -2.17 118.95 129.61 3koc s ARG 7 Ca -0.00 1.69 -0.04 0.00 -0.13 0.00 0.00 55.73 57.25 3koc s ARG 7 Cb -0.12 -2.87 -0.00 0.00 -1.56 0.00 0.00 34.95 30.40 3koc s ARG 7 CO -0.11 0.00 0.07 0.14 -0.81 0.00 0.00 175.30 174.60 3koc s VAL 8 N -1.39 0.07 -0.27 7.11 -7.23 -0.72 -1.62 120.40 116.35 3koc s VAL 8 Ca 0.51 -0.56 0.23 0.00 -1.81 0.00 0.00 61.98 60.35 3koc s VAL 8 Cb -0.28 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.38 3koc s VAL 8 CO 0.35 -0.30 1.07 0.11 -0.31 0.00 0.00 175.10 176.02 3koc h LYS 9 N 4.91 0.00 -1.49 4.82 1.79 -1.51 -0.61 116.57 124.48 3koc h LYS 9 Ca -0.29 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.38 3koc h LYS 9 Cb 1.20 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.64 3koc h LYS 9 CO 0.42 0.00 0.76 0.20 -1.08 0.00 0.00 179.45 179.75 3koc s GLY 10 N -4.30 -0.24 -0.19 3.86 0.00 -1.21 -1.99 107.32 103.25 3koc s GLY 10 Ca 0.00 1.84 -0.13 0.00 0.00 0.00 0.00 44.72 46.44 3koc s GLY 10 CO 0.78 0.71 0.48 0.00 0.00 0.00 0.00 173.10 175.07 3koc s ALA 11 N -2.00 -1.23 -0.25 3.20 0.00 -0.67 -0.92 121.76 119.89 3koc s ALA 11 Ca 0.07 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.66 3koc s ALA 11 Cb -0.01 -0.96 0.06 0.00 0.00 0.00 0.00 23.12 22.21 3koc s ALA 11 CO -0.05 -0.27 -0.07 0.42 0.00 0.00 0.00 175.76 175.80 3koc s ILE 12 N 1.04 1.76 -0.16 0.00 1.01 0.16 -1.28 121.20 123.74 3koc s ILE 12 Ca -0.06 -1.41 -0.15 0.00 0.00 0.00 0.00 60.65 59.03 3koc s ILE 12 Cb -0.06 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3koc s ILE 12 CO -0.09 -0.11 0.37 -0.22 0.00 0.00 0.00 174.94 174.89 3koc s LEU 13 N 1.28 4.24 -0.02 2.97 0.20 -0.43 -1.36 118.68 125.56 3koc s LEU 13 Ca -0.06 0.60 -0.06 0.00 0.69 0.00 0.00 54.13 55.30 3koc s LEU 13 Cb -0.19 -2.49 0.01 0.00 -0.43 0.00 0.00 46.19 43.08 3koc s LEU 13 CO -0.06 0.04 0.13 -0.94 -0.29 0.00 0.00 176.35 175.22 3koc s SER 14 N 0.62 -0.04 0.15 3.68 1.04 0.04 -0.69 113.70 118.50 3koc s SER 14 Ca 0.20 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.72 3koc s SER 14 Cb -0.14 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3koc s SER 14 CO 0.06 -0.21 -0.11 0.68 0.98 0.00 0.00 173.24 174.65 3koc s VAL 15 N -0.67 3.21 0.12 5.02 -7.23 -0.51 -0.89 120.40 119.45 3koc s VAL 15 Ca -0.08 -1.51 -0.31 0.00 -1.81 0.00 0.00 61.98 58.28 3koc s VAL 15 Cb -0.05 -2.55 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3koc s VAL 15 CO 0.01 -0.01 1.49 -0.13 -0.31 0.00 0.00 175.10 176.15 3koc s ARG 16 N -2.54 4.26 -0.12 4.82 0.52 -1.26 -1.26 118.95 123.37 3koc s ARG 16 Ca 0.23 2.21 -0.09 0.00 -0.52 0.00 0.00 55.73 57.56 3koc s ARG 16 Cb -0.10 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 3koc s ARG 16 CO 0.14 -0.55 0.18 -1.59 0.02 0.00 0.00 175.30 173.50 3koc s LYS 17 N 1.39 3.68 0.91 3.54 -2.85 -1.26 -4.84 119.74 120.31 3koc s LYS 17 Ca 0.68 -0.07 -0.12 0.00 -1.00 0.00 0.00 55.97 55.46 3koc s LYS 17 Cb -0.40 -3.25 0.14 0.00 -2.06 0.00 0.00 37.83 32.26 3koc s LYS 17 CO 0.31 0.65 1.10 -1.83 0.10 0.00 0.00 175.35 175.67 3koc s GLU 18 N -0.68 1.14 5.71 1.78 -1.05 -1.26 -4.68 118.70 119.65 3koc s GLU 18 Ca 0.15 0.68 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 3koc s GLU 18 Cb -0.12 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 3koc s GLU 18 CO 0.04 -2.29 0.00 0.27 0.95 0.00 0.00 175.26 174.23 3koc n ASN 19 N -3.89 0.00 -1.21 0.83 0.23 -1.26 -5.03 115.26 104.93 3koc n ASN 19 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 3koc n ASN 19 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3koc n ASN 19 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3koc n ILE 20 N 0.00 -4.78 -1.06 1.53 5.41 -1.26 -5.06 119.36 114.14 3koc n ILE 20 Ca 0.00 1.72 0.00 0.00 1.00 0.00 0.00 62.75 65.47 3koc n ILE 20 Cb 0.00 -2.79 0.00 0.00 -0.71 0.00 0.00 39.64 36.14 3koc n ILE 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3koc n GLY 21 N 0.29 2.22 3.74 7.39 0.00 -1.26 -5.00 105.19 112.58 3koc n GLY 21 Ca 0.00 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 3koc n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3koc s GLU 22 N 3.85 4.72 -0.00 1.61 0.41 -1.26 -3.94 118.70 124.09 3koc s GLU 22 Ca 0.00 1.39 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 3koc s GLU 22 Cb 0.00 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 3koc s GLU 22 CO 0.00 0.37 0.00 0.27 -0.49 0.00 0.00 175.26 175.41 3koc n ASN 23 N 2.18 -4.90 -4.86 -0.19 0.23 -1.26 -4.97 115.26 101.49 3koc n ASN 23 Ca -0.01 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.75 3koc n ASN 23 Cb 0.48 -2.95 0.07 0.00 -2.08 0.00 0.00 39.78 35.30 3koc n ASN 23 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3koc s GLU 24 N -1.64 2.40 0.00 -3.83 -6.30 -1.25 -5.06 118.70 103.01 3koc s GLU 24 Ca 0.00 0.43 -0.02 0.00 -2.50 0.00 0.00 54.97 52.88 3koc s GLU 24 Cb 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 34.13 32.15 3koc s GLU 24 CO 0.00 -1.36 0.84 1.57 0.02 0.00 0.00 175.26 176.33 3koc h LYS 25 N -0.89 -0.08 -3.05 4.30 5.09 -1.93 -3.45 116.57 116.56 3koc h LYS 25 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.29 3koc h LYS 25 Cb 1.28 0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.62 3koc h LYS 25 CO 0.63 -0.05 -0.40 0.39 -2.09 0.00 0.00 179.45 177.93 3koc n GLU 26 N -2.26 -2.11 -0.37 0.07 -0.58 -1.26 -5.05 120.64 109.08 3koc n GLU 26 Ca -0.01 1.83 0.00 0.00 -0.42 0.00 0.00 57.16 58.56 3koc n GLU 26 Cb 0.03 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 28.72 3koc n GLU 26 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3koc n LEU 27 N 0.74 -0.61 -4.21 -4.62 4.77 -1.24 -4.89 117.00 106.95 3koc n LEU 27 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3koc n LEU 27 Cb 0.00 -0.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.62 3koc n LEU 27 CO 0.00 0.00 -0.55 -1.83 -1.33 0.00 0.00 177.39 173.68 3koc s GLU 28 N -0.88 2.58 0.11 3.23 -1.05 -0.39 -4.91 118.70 117.39 3koc s GLU 28 Ca 0.00 -0.81 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 3koc s GLU 28 Cb 0.00 -2.07 -0.07 0.00 -0.44 0.00 0.00 34.13 31.56 3koc s GLU 28 CO 0.00 0.24 1.19 0.42 0.95 0.00 0.00 175.26 178.06 3koc s ILE 29 N 0.16 3.87 0.00 1.83 1.01 -1.26 -1.42 121.20 125.39 3koc s ILE 29 Ca -0.11 1.43 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3koc s ILE 29 Cb -0.15 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3koc s ILE 29 CO 0.06 0.16 0.27 2.30 0.00 0.00 0.00 174.94 177.73 3koc n ILE 30 N 3.32 0.00 -3.56 2.92 -5.35 0.13 -4.94 119.36 111.89 3koc n ILE 30 Ca 0.07 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 3koc n ILE 30 Cb 0.46 1.11 -0.05 0.00 -1.74 0.00 0.00 39.64 39.41 3koc n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3koc s SER 31 N -0.29 -0.48 -0.29 7.28 0.15 -1.10 -5.03 113.70 113.94 3koc s SER 31 Ca 0.00 0.54 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 3koc s SER 31 Cb 0.00 0.41 0.14 0.00 -1.71 0.00 0.00 66.02 64.86 3koc s SER 31 CO 0.00 -0.44 0.90 -0.70 1.20 0.00 0.00 173.24 174.20 3koc s GLU 32 N -1.11 0.41 0.24 5.44 2.12 -1.26 -1.31 118.70 123.24 3koc s GLU 32 Ca -0.05 0.86 0.09 0.00 0.36 0.00 0.00 54.97 56.23 3koc s GLU 32 Cb -0.00 0.32 -0.05 0.00 0.26 0.00 0.00 34.13 34.65 3koc s GLU 32 CO 0.05 -0.11 -0.15 0.96 -0.54 0.00 0.00 175.26 175.46 3koc s ILE 33 N 1.97 2.01 0.00 -3.70 -4.36 -0.40 -5.00 121.20 111.72 3koc s ILE 33 Ca -0.06 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.05 3koc s ILE 33 Cb -0.06 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.45 3koc s ILE 33 CO -0.17 -0.48 0.00 0.29 0.24 0.00 0.00 174.94 174.82 3koc n LYS 34 N -0.50 2.76 -1.82 0.37 4.76 -1.26 -1.68 118.16 120.79 3koc n LYS 34 Ca -0.07 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 3koc n LYS 34 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 3koc n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3koc s ASN 35 N -1.00 6.24 0.00 4.39 0.01 -0.84 -3.32 114.94 120.42 3koc s ASN 35 Ca 0.00 3.00 0.00 0.00 -0.71 0.00 0.00 52.86 55.15 3koc s ASN 35 Cb 0.00 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 39.00 3koc s ASN 35 CO 0.00 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.26 3koc n GLY 36 N 0.51 -0.56 3.27 0.66 0.00 -0.23 -2.49 105.19 106.34 3koc n GLY 36 Ca 0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3koc n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koc s LEU 37 N 0.00 2.21 -0.12 0.99 1.43 -0.87 -1.75 118.68 120.56 3koc s LEU 37 Ca 0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3koc s LEU 37 Cb 0.00 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3koc s LEU 37 CO 0.00 0.14 -0.17 -0.51 0.23 0.00 0.00 176.35 176.04 3koc s ILE 38 N -0.91 2.69 -0.17 -0.59 2.07 -0.92 -1.47 121.20 121.89 3koc s ILE 38 Ca 0.08 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.53 3koc s ILE 38 Cb -0.09 -2.10 0.02 0.00 0.13 0.00 0.00 42.46 40.42 3koc s ILE 38 CO 0.03 0.53 -0.18 0.00 -1.91 0.00 0.00 174.94 173.41 3koc s PHE 40 N 1.34 3.19 -0.26 0.00 0.08 -0.31 -1.77 117.98 120.24 3koc s PHE 40 Ca 0.05 0.53 -0.04 0.00 0.12 0.00 0.00 56.93 57.58 3koc s PHE 40 Cb -0.13 -3.05 0.01 0.00 -0.57 0.00 0.00 43.02 39.28 3koc s PHE 40 CO -0.12 -0.53 0.00 -1.17 -0.10 0.00 0.00 175.22 173.30 3koc s LEU 41 N 2.66 3.39 -0.15 -0.37 0.20 0.96 -1.35 118.68 124.03 3koc s LEU 41 Ca 0.25 -0.70 -0.05 0.00 0.69 0.00 0.00 54.13 54.33 3koc s LEU 41 Cb -0.15 -1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 3koc s LEU 41 CO 0.13 -0.13 0.02 -0.83 -0.29 0.00 0.00 176.35 175.24 3koc s GLY 42 N 1.43 1.84 -0.18 7.98 0.00 -0.18 0.28 107.32 118.49 3koc s GLY 42 Ca 0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 3koc s GLY 42 CO -0.01 -0.17 -0.10 -0.42 0.00 0.00 0.00 173.10 172.39 3koc s ILE 43 N -0.02 3.00 0.37 0.90 1.01 -1.26 -1.96 121.20 123.24 3koc s ILE 43 Ca 0.04 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 3koc s ILE 43 Cb -0.13 -2.31 -0.10 0.00 0.01 0.00 0.00 42.46 39.93 3koc s ILE 43 CO 0.02 0.48 0.91 -2.28 0.00 0.00 0.00 174.94 174.07 3koc s HIS 44 N 1.04 3.46 0.62 3.97 2.46 -1.26 -1.05 115.29 124.54 3koc s HIS 44 Ca -0.00 1.60 0.32 0.00 0.47 0.00 0.00 55.06 57.45 3koc s HIS 44 Cb -0.15 -2.82 1.78 0.00 -0.13 0.00 0.00 32.58 31.27 3koc s HIS 44 CO -0.02 0.05 2.09 1.57 -2.47 0.00 0.00 174.74 175.96 3koc h LYS 45 N 2.45 0.00 -0.48 2.88 -0.00 -1.56 -1.43 116.57 118.43 3koc h LYS 45 Ca -0.48 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 59.94 3koc h LYS 45 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 32.23 33.28 3koc h LYS 45 CO 0.63 0.00 0.07 0.09 -0.00 0.00 0.00 179.45 180.24 3koc n ASN 46 N -3.42 2.91 -4.76 7.07 3.02 -1.26 -4.87 115.26 113.94 3koc n ASN 46 Ca 0.00 -3.67 -0.39 0.00 -0.03 0.00 0.00 54.58 50.49 3koc n ASN 46 Cb 0.32 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 3koc n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3koc s ASP 47 N -2.21 7.57 0.21 6.41 1.01 -0.54 -4.99 116.67 124.13 3koc s ASP 47 Ca 0.47 1.91 0.11 0.00 0.71 0.00 0.00 52.55 55.75 3koc s ASP 47 Cb 0.42 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 3koc s ASP 47 CO 0.03 0.11 -0.21 0.42 0.21 0.00 0.00 175.17 175.73 3koc s THR 48 N -1.28 2.24 -0.13 -1.27 -4.23 -1.26 -5.01 115.64 104.69 3koc s THR 48 Ca 0.43 -2.13 0.14 0.00 -1.18 0.00 0.00 61.69 58.95 3koc s THR 48 Cb -0.24 -2.11 0.14 0.00 1.34 0.00 0.00 72.50 71.63 3koc s THR 48 CO 0.30 -0.27 1.37 1.87 -0.54 0.00 0.00 174.62 177.34 3koc n TRP 49 N -0.03 0.49 0.16 3.99 -0.00 -1.26 0.24 117.44 121.02 3koc n TRP 49 Ca -0.10 0.25 -0.14 0.00 -0.00 0.00 0.00 57.50 57.52 3koc n TRP 49 Cb 0.58 -0.78 -0.07 0.00 -0.00 0.00 0.00 31.31 31.04 3koc n TRP 49 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3koc h GLU 50 N 0.00 -0.38 0.14 5.87 4.39 -1.99 -1.95 114.58 120.66 3koc h GLU 50 Ca 0.00 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3koc h GLU 50 Cb 0.37 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 3koc h GLU 50 CO 0.00 -0.26 -0.45 -0.44 -1.16 0.00 0.00 179.01 176.70 3koc h ASP 51 N -0.40 -1.34 -0.55 1.42 3.32 -0.62 -0.05 116.42 118.20 3koc h ASP 51 Ca -0.01 0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.29 3koc h ASP 51 Cb 0.35 0.50 -0.09 0.00 0.22 0.00 0.00 39.33 40.31 3koc h ASP 51 CO -0.00 -0.52 0.00 0.00 -1.72 0.00 0.00 179.24 177.00 3koc h ALA 52 N -0.30 0.53 -0.02 3.45 0.00 -1.58 -2.14 119.26 119.21 3koc h ALA 52 Ca 0.01 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3koc h ALA 52 Cb 0.71 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3koc h ALA 52 CO -0.25 -0.39 -0.52 1.25 0.00 0.00 0.00 179.25 179.35 3koc h LEU 53 N 0.12 0.04 0.50 0.00 5.85 -1.02 -1.87 115.31 118.93 3koc h LEU 53 Ca 0.28 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3koc h LEU 53 Cb 0.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3koc h LEU 53 CO -0.46 0.56 -0.24 0.22 -0.34 0.00 0.00 178.44 178.17 3koc h TYR 54 N 0.03 -0.63 -0.32 1.25 3.20 -0.39 -2.39 116.97 117.73 3koc h TYR 54 Ca -0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.90 3koc h TYR 54 Cb 0.93 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 3koc h TYR 54 CO 0.00 -0.34 0.02 0.82 -1.64 0.00 0.00 178.16 177.02 3koc h ILE 55 N -0.79 0.79 -0.09 1.81 1.08 -1.32 -1.77 117.51 117.23 3koc h ILE 55 Ca -0.07 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 3koc h ILE 55 Cb 0.57 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 3koc h ILE 55 CO 0.11 0.02 -0.14 0.40 -0.69 0.00 0.00 178.15 177.86 3koc h ILE 56 N 0.12 0.63 -0.11 -0.67 2.04 -1.36 0.76 117.51 118.91 3koc h ILE 56 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3koc h ILE 56 Cb 0.19 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3koc h ILE 56 CO -0.24 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 177.66 3koc h ARG 57 N -0.19 -0.36 0.15 2.37 3.08 -1.09 -1.60 114.38 116.74 3koc h ARG 57 Ca 0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3koc h ARG 57 Cb 0.30 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3koc h ARG 57 CO -0.21 -0.24 -0.14 0.87 -1.07 0.00 0.00 179.97 179.18 3koc h LYS 58 N -0.37 -0.30 -0.88 0.04 1.79 -1.05 -0.38 116.57 115.42 3koc h LYS 58 Ca 0.09 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.74 3koc h LYS 58 Cb 0.51 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.14 3koc h LYS 58 CO -0.32 -0.20 0.47 0.00 -1.08 0.00 0.00 179.45 178.31 3koc h LEU 60 N 0.65 0.00 0.00 0.00 3.38 -1.06 -3.37 115.31 114.91 3koc h LEU 60 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3koc h LEU 60 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3koc h LEU 60 CO -0.36 0.43 -0.93 0.59 0.09 0.00 0.00 178.44 178.25 3koc n ASN 61 N -3.14 1.32 -4.69 -0.43 4.13 -0.17 -4.17 115.26 108.11 3koc n ASN 61 Ca 0.01 -0.44 -0.42 0.00 1.68 0.00 0.00 54.58 55.41 3koc n ASN 61 Cb 0.72 1.22 -0.03 0.00 -1.54 0.00 0.00 39.78 40.14 3koc n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3koc s LEU 62 N -3.04 4.35 -0.49 3.41 1.43 0.13 -4.76 118.68 119.70 3koc s LEU 62 Ca 0.01 2.34 -0.24 0.00 -1.03 0.00 0.00 54.13 55.21 3koc s LEU 62 Cb 0.08 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3koc s LEU 62 CO 0.45 -0.82 0.88 -0.13 0.23 0.00 0.00 176.35 176.96 3koc s ARG 63 N 2.48 3.42 0.00 1.70 0.52 -1.26 -4.30 118.95 121.50 3koc s ARG 63 Ca 0.70 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 3koc s ARG 63 Cb -0.37 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.13 3koc s ARG 63 CO 0.30 -1.27 0.23 1.28 0.02 0.00 0.00 175.30 175.86 3koc n LEU 64 N 7.08 0.40 -4.56 2.53 4.77 -0.28 -4.34 117.00 122.62 3koc n LEU 64 Ca 0.03 -0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 55.28 3koc n LEU 64 Cb 0.48 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 3koc n LEU 64 CO 0.62 0.10 -0.41 0.26 -1.33 0.00 0.00 177.39 176.63 3koc s TRP 65 N -0.03 2.83 1.13 -1.77 0.51 -0.98 -4.76 118.94 115.87 3koc s TRP 65 Ca 0.00 -0.07 -0.13 0.00 -2.12 0.00 0.00 56.10 53.78 3koc s TRP 65 Cb 0.00 -1.61 0.26 0.00 -0.81 0.00 0.00 33.47 31.31 3koc s TRP 65 CO 0.00 0.32 1.04 -0.80 -0.51 0.00 0.00 176.95 177.00 3koc s ASN 66 N -1.19 1.30 -0.14 2.95 0.01 -1.26 -0.97 114.94 115.63 3koc s ASN 66 Ca 0.15 1.48 0.20 0.00 -0.71 0.00 0.00 52.86 53.98 3koc s ASN 66 Cb -0.11 -2.23 0.45 0.00 0.41 0.00 0.00 41.25 39.77 3koc s ASN 66 CO 0.05 -4.00 1.17 -3.20 -1.51 0.00 0.00 177.10 169.61 3koc n ASN 67 N -4.78 1.77 -3.73 -1.22 5.15 0.75 -4.60 115.26 108.60 3koc n ASN 67 Ca 0.04 -2.60 -0.26 0.00 -0.60 0.00 0.00 54.58 51.16 3koc n ASN 67 Cb 0.55 -0.40 0.03 0.00 -0.53 0.00 0.00 39.78 39.43 3koc n ASN 67 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3koc n ASP 68 N -0.26 -3.00 0.00 1.20 2.03 -1.26 -4.44 116.55 110.82 3koc n ASP 68 Ca 0.13 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.50 3koc n ASP 68 Cb 0.95 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.76 3koc n ASP 68 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3koc n ASN 69 N -2.89 0.00 -4.78 1.67 4.05 -1.26 -5.13 115.26 106.92 3koc n ASN 69 Ca -0.20 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.46 3koc n ASN 69 Cb 0.64 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.62 3koc n ASN 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3koc s LYS 70 N 0.00 4.09 0.52 1.20 1.02 -1.26 -5.06 119.74 120.24 3koc s LYS 70 Ca 0.00 1.62 0.01 0.00 0.02 0.00 0.00 55.97 57.62 3koc s LYS 70 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3koc s LYS 70 CO 0.00 -0.23 0.75 0.95 -0.92 0.00 0.00 175.35 175.89 3koc s THR 71 N -1.58 3.18 -1.04 2.17 -4.23 -1.26 -0.18 115.64 112.69 3koc s THR 71 Ca 0.58 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 60.28 3koc s THR 71 Cb -0.25 -3.19 0.03 0.00 1.34 0.00 0.00 72.50 70.43 3koc s THR 71 CO 0.31 -0.14 0.62 0.79 -0.54 0.00 0.00 174.62 175.66 3koc n TRP 72 N -2.27 -1.47 0.00 3.99 7.02 -1.24 -4.87 117.44 118.59 3koc n TRP 72 Ca 0.05 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.80 3koc n TRP 72 Cb 0.59 -2.59 0.00 0.00 -2.42 0.00 0.00 31.31 26.88 3koc n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3koc n ASP 73 N -2.11 1.32 -4.76 -0.99 2.03 -0.14 -4.79 116.55 107.12 3koc n ASP 73 Ca -0.17 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.90 3koc n ASP 73 Cb 0.57 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 3koc n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3koc s LYS 74 N -1.99 2.72 0.50 -0.67 -0.14 -0.77 -4.77 119.74 114.62 3koc s LYS 74 Ca 0.00 -1.07 0.05 0.00 -1.36 0.00 0.00 55.97 53.58 3koc s LYS 74 Cb 0.00 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 3koc s LYS 74 CO 0.00 0.43 0.24 0.54 -0.76 0.00 0.00 175.35 175.79 3koc s ASN 75 N -3.44 4.44 0.20 2.83 2.20 -1.26 -1.12 114.94 118.78 3koc s ASN 75 Ca 0.31 -1.32 -0.12 0.00 -0.94 0.00 0.00 52.86 50.78 3koc s ASN 75 Cb -0.08 0.24 0.23 0.00 -2.00 0.00 0.00 41.25 39.63 3koc s ASN 75 CO 0.22 -0.90 1.69 -0.37 -2.94 0.00 0.00 177.10 174.80 3koc h VAL 76 N 1.08 0.61 -0.28 3.54 -1.51 -1.78 -2.22 116.25 115.68 3koc h VAL 76 Ca -0.40 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 3koc h VAL 76 Cb 1.29 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 3koc h VAL 76 CO 0.65 0.03 0.14 0.11 -1.23 0.00 0.00 177.57 177.27 3koc h LYS 77 N 0.15 0.40 -0.56 5.19 6.56 -1.81 -0.15 116.57 126.34 3koc h LYS 77 Ca 0.28 -0.05 0.10 0.00 -1.06 0.00 0.00 60.65 59.91 3koc h LYS 77 Cb 0.42 -0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 31.93 3koc h LYS 77 CO -0.42 0.37 0.14 -0.44 -2.06 0.00 0.00 179.45 177.04 3koc h ASP 78 N 0.33 0.06 -0.62 0.86 3.32 -1.76 -2.70 116.42 115.92 3koc h ASP 78 Ca 0.10 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3koc h ASP 78 Cb 0.10 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3koc h ASP 78 CO -0.01 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 3koc n LEU 79 N -5.09 4.77 -3.61 1.55 4.77 -1.00 -4.96 117.00 113.43 3koc n LEU 79 Ca 0.08 -2.51 -0.23 0.00 -0.03 0.00 0.00 56.01 53.32 3koc n LEU 79 Cb 0.28 -0.58 0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3koc n LEU 79 CO 0.20 0.79 0.20 -3.20 -1.33 0.00 0.00 177.39 174.05 3koc n ASN 80 N 0.98 -5.33 -4.74 -1.43 5.15 -0.68 -5.00 115.26 104.22 3koc n ASN 80 Ca 0.25 -0.59 -0.29 0.00 -0.60 0.00 0.00 54.58 53.35 3koc n ASN 80 Cb 0.91 -4.89 -0.07 0.00 -0.53 0.00 0.00 39.78 35.20 3koc n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3koc s TYR 81 N -3.34 3.07 0.68 1.20 2.02 -0.16 -5.04 117.35 115.79 3koc s TYR 81 Ca 0.48 -0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 57.10 3koc s TYR 81 Cb -0.22 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3koc s TYR 81 CO 0.74 0.51 1.02 -1.21 -1.57 0.00 0.00 175.55 175.04 3koc s GLU 82 N -2.57 2.59 -0.04 -0.62 2.02 -1.04 -4.60 118.70 114.45 3koc s GLU 82 Ca 0.28 0.07 0.04 0.00 0.02 0.00 0.00 54.97 55.38 3koc s GLU 82 Cb -0.11 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3koc s GLU 82 CO 0.21 -1.04 -0.14 -0.51 0.02 0.00 0.00 175.26 173.79 3koc s LEU 83 N -5.23 1.85 -0.21 1.80 1.02 -0.84 -2.06 118.68 115.01 3koc s LEU 83 Ca 0.58 -0.30 -0.05 0.00 0.02 0.00 0.00 54.13 54.38 3koc s LEU 83 Cb -0.11 -0.83 -0.02 0.00 0.02 0.00 0.00 46.19 45.25 3koc s LEU 83 CO 0.47 0.11 0.01 -0.22 0.02 0.00 0.00 176.35 176.74 3koc s LEU 84 N 0.15 3.24 -0.17 1.79 2.96 -0.54 -0.95 118.68 125.16 3koc s LEU 84 Ca -0.05 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3koc s LEU 84 Cb -0.11 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3koc s LEU 84 CO 0.02 0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.37 3koc s ILE 85 N 1.20 3.40 -0.06 6.68 -1.09 -1.08 -1.18 121.20 129.06 3koc s ILE 85 Ca 0.03 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.95 3koc s ILE 85 Cb -0.14 -2.49 0.02 0.00 -1.58 0.00 0.00 42.46 38.27 3koc s ILE 85 CO 0.01 0.48 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.42 3koc s VAL 86 N 0.72 0.95 0.06 2.92 1.01 -0.73 -3.88 120.40 121.44 3koc s VAL 86 Ca -0.04 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3koc s VAL 86 Cb -0.15 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3koc s VAL 86 CO 0.02 0.32 1.16 -0.55 0.00 0.00 0.00 175.10 176.04 3koc s SER 87 N 0.85 7.14 -0.46 3.32 0.15 -1.26 -0.03 113.70 123.40 3koc s SER 87 Ca -0.11 1.96 0.06 0.00 0.70 0.00 0.00 55.95 58.55 3koc s SER 87 Cb -0.15 -2.58 0.22 0.00 -1.71 0.00 0.00 66.02 61.80 3koc s SER 87 CO 0.01 -0.42 0.49 0.00 1.20 0.00 0.00 173.24 174.52 3koc n GLN 88 N 3.85 0.91 0.15 5.44 1.13 0.14 -4.80 117.38 124.20 3koc n GLN 88 Ca 0.08 -3.54 0.17 0.00 -1.94 0.00 0.00 57.00 51.77 3koc n GLN 88 Cb 0.47 -1.62 0.75 0.00 0.11 0.00 0.00 30.24 29.96 3koc n GLN 88 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3koc h PHE 89 N 4.70 0.00 0.00 1.08 -5.15 -1.94 -2.68 116.94 112.95 3koc h PHE 89 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 3koc h PHE 89 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.02 3koc h PHE 89 CO 0.42 0.00 0.02 1.79 -2.00 0.00 0.00 178.31 178.53 3koc h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.94 -1.70 112.91 111.50 3koc h THR 90 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 3koc h THR 90 Cb 0.58 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3koc h THR 90 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3koc n LEU 91 N -2.50 0.00 -0.43 3.87 4.77 -1.01 -1.12 117.00 120.58 3koc n LEU 91 Ca -0.02 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 3koc n LEU 91 Cb 0.06 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.02 3koc n LEU 91 CO 0.13 -0.20 0.60 0.49 -1.33 0.00 0.00 177.39 177.08 3koc n PHE 92 N -1.26 0.36 -2.18 -1.77 3.72 -0.64 -4.93 117.46 110.77 3koc n PHE 92 Ca 0.03 -0.64 -0.35 0.00 -0.05 0.00 0.00 57.45 56.45 3koc n PHE 92 Cb 0.05 -0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.45 3koc n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3koc s GLY 93 N -1.42 0.42 0.08 1.37 0.00 -0.28 -4.22 107.32 103.26 3koc s GLY 93 Ca 0.21 -1.28 -0.35 0.00 0.00 0.00 0.00 44.72 43.31 3koc s GLY 93 CO 0.08 3.25 1.60 -2.01 0.00 0.00 0.00 173.10 176.02 3koc n ASN 94 N 12.29 2.84 0.00 1.64 5.15 -1.01 -4.78 115.26 131.39 3koc n ASN 94 Ca 0.27 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.32 3koc n ASN 94 Cb 0.50 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 3koc n ASN 94 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3koc n THR 95 N 3.63 0.73 -0.02 -0.44 -2.24 -1.26 -2.99 114.28 111.68 3koc n THR 95 Ca 0.19 -0.82 -0.05 0.00 -2.27 0.00 0.00 64.05 61.10 3koc n THR 95 Cb 0.26 0.65 0.16 0.00 -2.10 0.00 0.00 70.33 69.31 3koc n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koc h LYS 96 N 0.00 0.58 0.40 -0.78 1.57 -1.95 -3.34 116.57 113.06 3koc h LYS 96 Ca 0.00 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3koc h LYS 96 Cb 0.45 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3koc h LYS 96 CO 0.00 0.78 -0.19 0.87 -0.57 0.00 0.00 179.45 180.33 3koc h LYS 97 N 0.51 -0.52 0.00 3.15 1.57 -1.92 -3.49 116.57 115.87 3koc h LYS 97 Ca 0.07 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3koc h LYS 97 Cb 0.69 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3koc h LYS 97 CO 0.05 -0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.00 3koc n GLY 98 N -1.20 3.37 0.99 3.86 0.00 -1.25 -5.03 105.19 105.92 3koc n GLY 98 Ca -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.20 3koc n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3koc n ASN 99 N 0.00 2.56 -3.84 1.61 3.02 -1.26 -4.69 115.26 112.65 3koc n ASN 99 Ca 0.00 -2.31 -0.23 0.00 -0.03 0.00 0.00 54.58 52.00 3koc n ASN 99 Cb 0.00 -0.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.43 3koc n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3koc s LYS 100 N -1.45 0.96 0.20 3.52 3.01 -1.26 -5.14 119.74 119.58 3koc s LYS 100 Ca 0.17 -0.06 -0.30 0.00 -1.01 0.00 0.00 55.97 54.77 3koc s LYS 100 Cb 0.13 -1.14 -0.08 0.00 -1.01 0.00 0.00 37.83 35.73 3koc s LYS 100 CO 0.05 -0.23 0.95 -1.25 0.51 0.00 0.00 175.35 175.37 3koc s PRO 101 N 1.62 4.81 -0.10 -1.68 0.04 -1.26 -4.87 135.00 133.55 3koc s PRO 101 Ca 0.01 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.56 3koc s PRO 101 Cb -0.13 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.11 3koc s PRO 101 CO -0.05 0.43 -0.20 0.16 0.04 0.00 0.00 177.00 177.38 3koc s ASP 102 N -0.83 2.79 -0.19 6.66 1.47 -1.16 -4.94 116.67 120.46 3koc s ASP 102 Ca 0.43 -0.51 0.15 0.00 1.18 0.00 0.00 52.55 53.80 3koc s ASP 102 Cb -0.25 -1.28 0.70 0.00 -0.34 0.00 0.00 42.92 41.75 3koc s ASP 102 CO 0.31 0.10 1.61 0.49 0.68 0.00 0.00 175.17 178.36 3koc n PHE 103 N 3.80 1.57 0.23 2.11 3.72 -1.26 -2.41 117.46 125.22 3koc n PHE 103 Ca -0.20 -0.75 0.09 0.00 -0.05 0.00 0.00 57.45 56.54 3koc n PHE 103 Cb 0.52 -0.39 0.50 0.00 -0.94 0.00 0.00 39.48 39.16 3koc n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3koc h HIS 104 N 3.23 0.00 -0.04 1.38 -0.00 -1.95 0.98 115.15 118.75 3koc h HIS 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3koc h HIS 104 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.10 3koc h HIS 104 CO 0.82 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 180.03 3koc n LEU 105 N -2.37 1.62 -4.93 0.26 7.99 -1.26 -4.92 117.00 113.39 3koc n LEU 105 Ca -0.01 -0.56 -0.27 0.00 -0.01 0.00 0.00 56.01 55.16 3koc n LEU 105 Cb 0.39 -0.01 -0.03 0.00 -0.11 0.00 0.00 43.42 43.65 3koc n LEU 105 CO 0.08 0.28 -0.02 0.00 -1.51 0.00 0.00 177.39 176.22 3koc s ALA 106 N -1.97 3.88 0.11 -1.18 0.00 0.34 -1.96 121.76 120.98 3koc s ALA 106 Ca 0.37 -0.89 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 3koc s ALA 106 Cb 0.21 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 3koc s ALA 106 CO 0.32 0.48 1.33 0.21 0.00 0.00 0.00 175.76 178.10 3koc s LYS 107 N -3.27 4.36 0.16 0.00 2.20 -0.21 -4.20 119.74 118.78 3koc s LYS 107 Ca 0.37 1.99 -0.33 0.00 -0.36 0.00 0.00 55.97 57.64 3koc s LYS 107 Cb -0.11 -3.27 -0.17 0.00 -1.51 0.00 0.00 37.83 32.78 3koc s LYS 107 CO 0.29 -0.36 1.02 -1.91 -0.36 0.00 0.00 175.35 174.03 3koc n GLU 108 N 3.73 0.77 -0.28 4.03 0.00 -1.26 -4.61 120.64 123.03 3koc n GLU 108 Ca 0.10 0.27 0.16 0.00 0.00 0.00 0.00 57.16 57.70 3koc n GLU 108 Cb 0.43 -1.67 0.31 0.00 0.00 0.00 0.00 31.44 30.51 3koc n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3koc n PRO 109 N 1.51 -0.06 0.09 5.31 -0.02 -1.26 -1.23 135.00 139.34 3koc n PRO 109 Ca 0.16 1.21 -0.14 0.00 -2.02 0.00 0.00 63.50 62.71 3koc n PRO 109 Cb 0.22 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3koc n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3koc h ASN 110 N 0.00 0.39 0.51 2.55 -0.26 -2.01 -2.77 115.58 113.99 3koc h ASN 110 Ca 0.56 -0.38 -0.30 0.00 -0.56 0.00 0.00 56.30 55.62 3koc h ASN 110 Cb 1.26 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 38.41 3koc h ASN 110 CO -0.74 1.26 -1.35 -0.33 -1.06 0.00 0.00 177.43 175.22 3koc h GLU 111 N 0.10 0.34 -0.25 0.81 5.08 -1.86 -3.32 114.58 115.49 3koc h GLU 111 Ca -0.10 -0.59 -0.05 0.00 -1.00 0.00 0.00 59.36 57.62 3koc h GLU 111 Cb 1.82 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 3koc h GLU 111 CO 0.18 1.27 -0.05 0.00 -1.00 0.00 0.00 179.01 179.42 3koc h ALA 112 N 0.45 1.47 -0.76 3.43 0.00 -1.23 -2.71 119.26 119.91 3koc h ALA 112 Ca -0.18 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3koc h ALA 112 Cb 2.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 3koc h ALA 112 CO 0.22 0.38 0.50 1.25 0.00 0.00 0.00 179.25 181.60 3koc h LEU 113 N 0.36 0.83 -0.27 0.00 5.85 -1.59 0.16 115.31 120.66 3koc h LEU 113 Ca 0.08 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3koc h LEU 113 Cb 0.32 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3koc h LEU 113 CO 0.01 0.58 -0.27 0.40 -0.34 0.00 0.00 178.44 178.83 3koc h ILE 114 N 0.97 1.31 0.09 4.05 2.04 -1.63 -1.98 117.51 122.35 3koc h ILE 114 Ca 0.29 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 3koc h ILE 114 Cb -0.01 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3koc h ILE 114 CO -0.08 0.46 -0.04 0.15 0.00 0.00 0.00 178.15 178.63 3koc h PHE 115 N 0.38 -0.11 -0.21 1.37 -0.00 -1.24 0.15 116.94 117.28 3koc h PHE 115 Ca 0.04 -0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.07 3koc h PHE 115 Cb 0.83 0.04 -0.07 0.00 -0.00 0.00 0.00 35.95 36.75 3koc h PHE 115 CO 0.07 0.03 -0.30 -0.92 -0.00 0.00 0.00 178.31 177.20 3koc h TYR 116 N -0.24 -0.81 -0.42 0.41 5.03 -0.72 0.70 116.97 120.92 3koc h TYR 116 Ca -0.01 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3koc h TYR 116 Cb 0.20 0.39 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 3koc h TYR 116 CO -0.04 -0.37 0.23 -0.91 -1.32 0.00 0.00 178.16 175.75 3koc h ASN 117 N -0.33 0.50 0.23 -2.11 2.35 -1.17 -0.45 115.58 114.61 3koc h ASN 117 Ca 0.12 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3koc h ASN 117 Cb 0.52 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3koc h ASN 117 CO -0.40 0.41 -0.11 0.11 -1.65 0.00 0.00 177.43 175.79 3koc h LYS 118 N 0.58 -0.30 -0.72 0.81 6.56 0.30 -1.72 116.57 122.09 3koc h LYS 118 Ca 0.15 0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.90 3koc h LYS 118 Cb 0.01 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.65 3koc h LYS 118 CO -0.03 -0.03 0.25 0.82 -2.06 0.00 0.00 179.45 178.40 3koc h ILE 119 N -0.54 0.64 -0.77 1.86 2.04 -0.39 0.11 117.51 120.47 3koc h ILE 119 Ca -0.03 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3koc h ILE 119 Cb 0.40 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3koc h ILE 119 CO 0.05 0.07 0.50 0.40 0.00 0.00 0.00 178.15 179.18 3koc h ILE 120 N 0.39 1.17 -0.68 -0.67 1.08 -0.91 0.93 117.51 118.81 3koc h ILE 120 Ca 0.39 -0.35 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3koc h ILE 120 Cb 0.60 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 3koc h ILE 120 CO -0.41 0.18 0.22 0.44 -0.69 0.00 0.00 178.15 177.89 3koc h ASP 121 N 1.01 0.99 1.30 1.72 3.32 -0.24 -0.01 116.42 124.52 3koc h ASP 121 Ca 0.29 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3koc h ASP 121 Cb -0.07 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.22 3koc h ASP 121 CO -0.08 0.93 -0.03 1.21 -1.72 0.00 0.00 179.24 179.55 3koc n GLU 122 N -4.32 0.19 -0.03 3.56 4.07 0.26 -0.60 120.64 123.77 3koc n GLU 122 Ca 0.05 0.15 -0.11 0.00 -0.06 0.00 0.00 57.16 57.18 3koc n GLU 122 Cb 0.22 -1.71 -0.09 0.00 -0.06 0.00 0.00 31.44 29.79 3koc n GLU 122 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 3koc h PHE 123 N 0.00 -0.05 -0.95 4.31 0.04 0.12 -3.03 116.94 117.38 3koc h PHE 123 Ca 0.00 -0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.92 3koc h PHE 123 Cb 0.67 0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.74 3koc h PHE 123 CO 0.00 0.59 0.55 0.87 -0.60 0.00 0.00 178.31 179.73 3koc h LYS 124 N -0.89 0.75 0.28 1.51 1.57 -0.91 -1.82 116.57 117.05 3koc h LYS 124 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3koc h LYS 124 Cb 0.67 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3koc h LYS 124 CO 0.01 0.50 -0.13 0.87 -0.57 0.00 0.00 179.45 180.13 3koc h LYS 125 N 0.78 -0.36 0.00 3.15 1.57 -0.94 -1.49 116.57 119.27 3koc h LYS 125 Ca 0.52 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3koc h LYS 125 Cb 0.70 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3koc h LYS 125 CO -0.34 -0.07 0.00 1.96 -0.57 0.00 0.00 179.45 180.42 3koc h GLN 126 N -0.63 0.00 0.00 3.15 4.20 -1.40 -3.42 115.11 117.02 3koc h GLN 126 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3koc h GLN 126 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3koc h GLN 126 CO 0.06 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.20 3koc n TYR 127 N -2.77 0.00 -3.42 2.96 4.19 -0.70 -5.11 117.16 112.32 3koc n TYR 127 Ca 0.02 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.24 3koc n TYR 127 Cb 0.31 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.10 3koc n TYR 127 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3koc s ASN 128 N 0.54 -0.61 0.54 2.98 2.47 -0.57 -5.00 114.94 115.29 3koc s ASN 128 Ca 0.00 0.84 0.33 0.00 0.42 0.00 0.00 52.86 54.45 3koc s ASN 128 Cb 0.00 1.70 1.50 0.00 -1.45 0.00 0.00 41.25 42.99 3koc s ASN 128 CO 0.00 -0.12 1.86 -2.24 -3.72 0.00 0.00 177.10 172.89 3koc h ASP 129 N 7.53 0.00 1.71 -4.21 3.04 -1.90 -0.17 116.42 122.42 3koc h ASP 129 Ca -0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 3koc h ASP 129 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 3koc h ASP 129 CO 0.08 0.00 -0.06 -0.78 -2.04 0.00 0.00 179.24 176.45 3koc h ASP 130 N 0.00 0.00 -0.51 4.15 3.58 -1.97 -3.28 116.42 118.40 3koc h ASP 130 Ca 0.45 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.89 3koc h ASP 130 Cb 1.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.88 3koc h ASP 130 CO -0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 3koc n LYS 131 N -2.70 4.16 -3.98 0.28 4.76 -0.08 -4.85 118.16 115.75 3koc n LYS 131 Ca 0.04 -3.01 -0.29 0.00 -2.87 0.00 0.00 58.31 52.19 3koc n LYS 131 Cb 0.49 -2.07 -0.17 0.00 -1.84 0.00 0.00 35.03 31.44 3koc n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3koc s ILE 132 N -2.56 1.38 0.37 -0.18 -1.09 -1.23 -1.98 121.20 115.92 3koc s ILE 132 Ca 0.50 -0.54 0.08 0.00 -2.23 0.00 0.00 60.65 58.46 3koc s ILE 132 Cb 0.37 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.88 3koc s ILE 132 CO 0.16 0.40 0.28 -0.54 -1.23 0.00 0.00 174.94 174.01 3koc s LYS 133 N 1.56 2.54 0.28 2.79 -0.14 -0.12 -5.00 119.74 121.65 3koc s LYS 133 Ca 0.05 -1.48 -0.05 0.00 -1.36 0.00 0.00 55.97 53.13 3koc s LYS 133 Cb -0.13 -2.33 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 3koc s LYS 133 CO -0.10 -0.02 0.39 0.96 -0.76 0.00 0.00 175.35 175.82 3koc s ILE 134 N -2.41 0.00 0.38 2.17 -4.36 -1.26 -2.62 121.20 113.09 3koc s ILE 134 Ca 0.43 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 3koc s ILE 134 Cb -0.03 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 3koc s ILE 134 CO 0.26 0.00 0.04 0.61 0.24 0.00 0.00 174.94 176.09 3koc n GLY 135 N -0.45 3.59 3.55 6.27 0.00 -1.25 -4.74 105.19 112.16 3koc n GLY 135 Ca 0.01 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 3koc n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3koc s LYS 136 N -3.38 3.16 0.14 1.61 -0.14 -1.26 -4.91 119.74 114.95 3koc s LYS 136 Ca 0.06 -0.36 -0.16 0.00 -1.36 0.00 0.00 55.97 54.15 3koc s LYS 136 Cb 0.00 -4.63 0.07 0.00 -1.68 0.00 0.00 37.83 31.59 3koc s LYS 136 CO 0.04 -2.37 1.08 0.34 -0.76 0.00 0.00 175.35 173.68 3koc n PHE 137 N 10.20 -0.13 0.76 3.18 7.35 -1.26 -0.48 117.46 137.08 3koc n PHE 137 Ca 0.18 0.86 0.13 0.00 -0.76 0.00 0.00 57.45 57.86 3koc n PHE 137 Cb 0.50 -0.67 0.32 0.00 0.35 0.00 0.00 39.48 39.98 3koc n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3koc n GLY 138 N -1.26 -1.46 3.90 7.13 0.00 -1.26 -4.83 105.19 107.42 3koc n GLY 138 Ca 0.05 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3koc n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3koc s ASN 139 N -3.80 6.29 0.15 1.61 0.01 0.37 -5.06 114.94 114.51 3koc s ASN 139 Ca 0.10 0.93 -0.31 0.00 -0.71 0.00 0.00 52.86 52.87 3koc s ASN 139 Cb 0.15 -2.25 -0.08 0.00 0.41 0.00 0.00 41.25 39.48 3koc s ASN 139 CO 0.66 -0.56 1.32 -0.47 -1.51 0.00 0.00 177.10 176.54 3koc s TYR 140 N -2.70 3.28 0.13 2.20 5.04 -1.26 -4.91 117.35 119.14 3koc s TYR 140 Ca 0.47 1.14 0.09 0.00 -2.44 0.00 0.00 57.07 56.34 3koc s TYR 140 Cb -0.10 -3.60 -0.04 0.00 0.35 0.00 0.00 41.96 38.57 3koc s TYR 140 CO 0.44 -1.97 -0.23 -1.64 -1.34 0.00 0.00 175.55 170.81 3koc s MET 141 N 0.48 1.27 -0.18 4.97 -1.94 -1.26 -4.21 119.30 118.43 3koc s MET 141 Ca 0.60 -1.30 -0.02 0.00 -1.71 0.00 0.00 55.69 53.25 3koc s MET 141 Cb -0.36 -1.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.89 3koc s MET 141 CO 0.34 0.36 -0.08 1.21 -0.01 0.00 0.00 175.02 176.84 3koc s ASN 142 N -2.17 4.18 -0.14 3.03 2.47 -0.07 -5.00 114.94 117.24 3koc s ASN 142 Ca 0.12 -0.36 -0.00 0.00 0.42 0.00 0.00 52.86 53.04 3koc s ASN 142 Cb -0.09 -1.69 0.03 0.00 -1.45 0.00 0.00 41.25 38.05 3koc s ASN 142 CO 0.06 0.06 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.78 3koc s ILE 143 N 0.99 1.22 -0.30 -5.21 1.01 -1.26 -0.78 121.20 116.88 3koc s ILE 143 Ca -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 3koc s ILE 143 Cb -0.15 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3koc s ILE 143 CO -0.00 0.33 0.32 -1.81 0.00 0.00 0.00 174.94 173.78 3koc s ASP 144 N 1.62 6.16 -0.10 3.58 1.01 -0.46 -4.90 116.67 123.58 3koc s ASP 144 Ca 0.04 0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.35 3koc s ASP 144 Cb -0.13 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.63 3koc s ASP 144 CO -0.09 -0.20 -0.19 -0.69 0.21 0.00 0.00 175.17 174.22 3koc s VAL 145 N 1.96 1.70 -0.96 -1.27 1.01 -1.26 0.35 120.40 121.93 3koc s VAL 145 Ca 0.12 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 3koc s VAL 145 Cb -0.16 -1.51 0.14 0.00 0.00 0.00 0.00 36.38 34.84 3koc s VAL 145 CO 0.11 0.48 1.16 -0.89 0.00 0.00 0.00 175.10 175.95 3koc s THR 146 N 0.69 4.79 0.11 3.92 2.01 -0.10 -5.00 115.64 122.05 3koc s THR 146 Ca -0.12 -1.74 -0.31 0.00 0.31 0.00 0.00 61.69 59.83 3koc s THR 146 Cb -0.16 -4.79 -0.10 0.00 0.01 0.00 0.00 72.50 67.46 3koc s THR 146 CO 0.03 -1.51 1.80 0.20 -0.69 0.00 0.00 174.62 174.45 3koc s ASN 147 N 3.49 6.46 -0.60 3.53 0.01 -1.26 -1.51 114.94 125.05 3koc s ASN 147 Ca 0.34 2.70 -0.08 0.00 -0.71 0.00 0.00 52.86 55.10 3koc s ASN 147 Cb -0.05 -2.56 0.16 0.00 0.41 0.00 0.00 41.25 39.21 3koc s ASN 147 CO -0.08 -0.98 0.48 -0.62 -1.51 0.00 0.00 177.10 174.38 3koc s ASP 148 N 2.74 5.81 0.00 -1.22 2.15 -0.64 -4.65 116.67 120.87 3koc s ASP 148 Ca 0.80 -2.40 0.00 0.00 0.43 0.00 0.00 52.55 51.38 3koc s ASP 148 Cb -0.45 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3koc s ASP 148 CO 0.36 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 3koc n GLY 149 N 4.24 2.38 3.91 2.66 0.00 -1.26 -2.89 105.19 114.23 3koc n GLY 149 Ca 0.02 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3koc n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3koc s PRO 150 N 0.00 2.87 -0.18 1.61 0.04 -1.26 -5.17 135.00 132.91 3koc s PRO 150 Ca 0.00 0.08 -0.02 0.00 0.04 0.00 0.00 61.00 61.10 3koc s PRO 150 Cb 0.00 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 3koc s PRO 150 CO 0.00 -0.80 -0.11 0.08 0.04 0.00 0.00 177.00 176.22 3koc s VAL 151 N -3.08 2.99 -0.24 -0.36 1.01 -1.14 -5.00 120.40 114.57 3koc s VAL 151 Ca 0.55 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 3koc s VAL 151 Cb -0.11 -2.31 0.07 0.00 0.00 0.00 0.00 36.38 34.04 3koc s VAL 151 CO 0.46 0.48 0.00 -0.89 0.00 0.00 0.00 175.10 175.16 3koc s THR 152 N 1.05 1.18 0.02 3.92 2.01 -1.26 -1.41 115.64 121.15 3koc s THR 152 Ca -0.00 -1.12 -0.00 0.00 0.31 0.00 0.00 61.69 60.88 3koc s THR 152 Cb -0.15 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3koc s THR 152 CO -0.02 -0.25 0.12 -0.63 -0.69 0.00 0.00 174.62 173.15 3koc s ILE 153 N 1.53 4.92 -0.06 1.82 -1.09 -0.27 -4.95 121.20 123.10 3koc s ILE 153 Ca -0.01 -0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 3koc s ILE 153 Cb -0.18 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.42 3koc s ILE 153 CO -0.10 0.27 -0.00 -0.47 -1.23 0.00 0.00 174.94 173.41 3koc s TYR 154 N -1.30 0.61 -0.03 3.97 6.14 -1.26 -0.88 117.35 124.59 3koc s TYR 154 Ca 0.27 -0.14 0.05 0.00 0.64 0.00 0.00 57.07 57.89 3koc s TYR 154 Cb -0.12 -0.73 -0.01 0.00 0.42 0.00 0.00 41.96 41.52 3koc s TYR 154 CO 0.19 -0.29 -0.18 0.42 0.64 0.00 0.00 175.55 176.33 3koc s ILE 155 N 1.76 1.46 -0.47 3.14 1.01 -1.03 -5.01 121.20 122.06 3koc s ILE 155 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3koc s ILE 155 Cb -0.13 -1.24 0.14 0.00 0.01 0.00 0.00 42.46 41.24 3koc s ILE 155 CO -0.04 0.42 0.25 -0.62 0.00 0.00 0.00 174.94 174.95 3koc s ASP 156 N -0.14 3.84 0.21 3.58 2.15 -1.26 -0.48 116.67 124.56 3koc s ASP 156 Ca 0.00 -2.78 0.10 0.00 0.43 0.00 0.00 52.55 50.31 3koc s ASP 156 Cb -0.10 -1.21 0.72 0.00 -0.30 0.00 0.00 42.92 42.03 3koc s ASP 156 CO 0.01 -0.25 0.90 0.35 -0.17 0.00 0.00 175.17 176.01 3koc n THR 157 N 3.36 -0.24 0.00 1.71 -2.24 0.39 -2.10 114.28 115.16 3koc n THR 157 Ca 0.08 1.17 0.00 0.00 -2.27 0.00 0.00 64.05 63.03 3koc n THR 157 Cb 0.34 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 3koc n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3koc n HIS 158 N -4.35 0.00 -0.67 4.78 8.25 -1.26 -4.96 115.22 117.01 3koc n HIS 158 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3koc n HIS 158 Cb 0.69 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3koc n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73