#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxy s THR 17 N 0.00 4.59 0.37 2.61 -4.23 -1.26 -5.07 115.64 112.65 3kxy s THR 17 Ca 0.00 1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 3kxy s THR 17 Cb 0.00 -3.91 -0.08 0.00 1.34 0.00 0.00 72.50 69.85 3kxy s THR 17 CO 0.00 0.34 0.76 -1.83 -0.54 0.00 0.00 174.62 173.35 3kxy s GLU 18 N -1.64 3.88 0.31 3.99 -1.05 -1.26 -5.05 118.70 117.87 3kxy s GLU 18 Ca 0.38 0.56 -0.28 0.00 -0.15 0.00 0.00 54.97 55.49 3kxy s GLU 18 Cb -0.18 -2.41 -0.09 0.00 -0.44 0.00 0.00 34.13 31.01 3kxy s GLU 18 CO 0.22 0.05 1.05 0.00 0.95 0.00 0.00 175.26 177.52 3kxy s ALA 19 N -2.20 3.30 -0.30 -0.84 0.00 -1.26 -5.04 121.76 115.42 3kxy s ALA 19 Ca 0.53 0.77 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3kxy s ALA 19 Cb -0.10 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.82 3kxy s ALA 19 CO 0.25 -0.08 0.00 0.08 0.00 0.00 0.00 175.76 176.01 3kxy s VAL 20 N -1.33 1.89 0.89 0.00 1.01 -1.26 -4.62 120.40 116.99 3kxy s VAL 20 Ca 0.48 -1.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 3kxy s VAL 20 Cb -0.27 -2.27 0.21 0.00 0.00 0.00 0.00 36.38 34.05 3kxy s VAL 20 CO 0.35 -0.39 1.06 0.61 0.00 0.00 0.00 175.10 176.72 3kxy n GLY 21 N 4.46 -1.85 3.09 4.51 0.00 0.12 -4.79 105.19 110.74 3kxy n GLY 21 Ca -0.04 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 3kxy n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kxy s HIS 22 N -3.21 -0.31 -0.24 1.61 2.46 -1.26 -1.17 115.29 113.17 3kxy s HIS 22 Ca 0.62 0.73 -0.03 0.00 0.47 0.00 0.00 55.06 56.86 3kxy s HIS 22 Cb -0.03 0.07 0.13 0.00 -0.13 0.00 0.00 32.58 32.62 3kxy s HIS 22 CO 0.45 -0.19 0.39 0.12 -2.47 0.00 0.00 174.74 173.04 3kxy s PHE 23 N 0.72 -0.84 -1.35 3.88 5.36 -0.06 -4.95 117.98 120.74 3kxy s PHE 23 Ca -0.05 0.96 -0.04 0.00 -0.96 0.00 0.00 56.93 56.85 3kxy s PHE 23 Cb -0.06 0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.71 3kxy s PHE 23 CO -0.04 -0.69 0.82 0.39 -1.46 0.00 0.00 175.22 174.23 3kxy n GLU 24 N 5.37 -5.38 -1.13 10.12 -0.58 -1.26 -1.91 120.64 125.87 3kxy n GLU 24 Ca -0.04 0.65 -0.04 0.00 -0.42 0.00 0.00 57.16 57.30 3kxy n GLU 24 Cb 0.50 -5.35 -0.02 0.00 -0.57 0.00 0.00 31.44 26.00 3kxy n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kxy n GLY 25 N -1.59 0.72 3.11 0.62 0.00 -1.26 -5.02 105.19 101.77 3kxy n GLY 25 Ca -0.21 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 3kxy n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxy s ARG 26 N -2.12 1.55 0.45 1.61 0.52 -0.80 -5.13 118.95 115.03 3kxy s ARG 26 Ca 0.00 -0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 54.45 3kxy s ARG 26 Cb 0.00 -1.38 -0.08 0.00 0.52 0.00 0.00 34.95 34.01 3kxy s ARG 26 CO 0.00 0.23 1.06 -1.54 0.02 0.00 0.00 175.30 175.07 3kxy s SER 27 N 0.02 6.43 -0.02 0.23 1.04 -1.26 -0.89 113.70 119.26 3kxy s SER 27 Ca -0.02 2.03 0.03 0.00 0.48 0.00 0.00 55.95 58.46 3kxy s SER 27 Cb -0.10 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.44 3kxy s SER 27 CO 0.01 -0.72 -0.09 -0.69 0.98 0.00 0.00 173.24 172.74 3kxy s VAL 28 N -1.80 0.74 0.02 5.02 1.01 -0.32 -4.88 120.40 120.20 3kxy s VAL 28 Ca 0.64 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3kxy s VAL 28 Cb -0.20 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3kxy s VAL 28 CO 0.25 0.23 -0.04 0.42 0.00 0.00 0.00 175.10 175.96 3kxy s THR 29 N 0.06 0.20 0.62 3.92 -4.23 -1.26 0.16 115.64 115.10 3kxy s THR 29 Ca -0.01 -0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 59.48 3kxy s THR 29 Cb -0.07 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 3kxy s THR 29 CO 0.00 -0.41 1.26 -0.60 -0.54 0.00 0.00 174.62 174.33 3kxy s ARG 30 N -1.30 2.77 -0.02 3.99 6.06 -1.26 -5.03 118.95 124.15 3kxy s ARG 30 Ca -0.13 1.96 -0.03 0.00 -2.50 0.00 0.00 55.73 55.04 3kxy s ARG 30 Cb -0.09 -1.90 0.00 0.00 0.06 0.00 0.00 34.95 33.03 3kxy s ARG 30 CO -0.01 -1.40 0.08 0.00 -2.50 0.00 0.00 175.30 171.47 3kxy s ALA 31 N -1.48 -0.19 0.47 6.12 0.00 -1.26 -5.13 121.76 120.30 3kxy s ALA 31 Ca 0.80 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 3kxy s ALA 31 Cb -0.34 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 3kxy s ALA 31 CO 0.37 -0.07 0.98 0.00 0.00 0.00 0.00 175.76 177.04 3kxy n ALA 32 N 2.71 0.16 -2.63 0.00 0.00 -1.26 -4.84 120.51 114.66 3kxy n ALA 32 Ca -0.15 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3kxy n ALA 32 Cb 0.59 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3kxy n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kxy n VAL 33 N -0.84 4.03 -1.65 0.00 0.31 -1.26 -4.95 118.33 113.97 3kxy n VAL 33 Ca 0.10 -4.25 -0.44 0.00 -0.01 0.00 0.00 64.34 59.75 3kxy n VAL 33 Cb 0.42 -2.41 -0.03 0.00 -0.91 0.00 0.00 33.84 30.90 3kxy n VAL 33 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kxy n ARG 34 N 7.12 2.58 -3.62 5.55 0.00 -1.26 -4.92 116.66 122.11 3kxy n ARG 34 Ca 0.45 0.92 -0.08 0.00 -0.00 0.00 0.00 57.85 59.13 3kxy n ARG 34 Cb 0.44 -2.96 -0.02 0.00 0.00 0.00 0.00 32.46 29.92 3kxy n ARG 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3kxy s GLY 35 N 5.00 -0.38 0.28 5.14 0.00 -1.26 -5.18 107.32 110.92 3kxy s GLY 35 Ca 0.92 0.31 0.05 0.00 0.00 0.00 0.00 44.72 46.00 3kxy s GLY 35 CO 0.43 0.10 -0.00 -1.83 0.00 0.00 0.00 173.10 171.80 3kxy s GLU 36 N -3.59 1.51 -0.37 2.90 -1.05 -1.26 -5.07 118.70 111.78 3kxy s GLU 36 Ca 0.07 -1.79 -0.27 0.00 -0.15 0.00 0.00 54.97 52.82 3kxy s GLU 36 Cb -0.02 -0.90 -0.05 0.00 -0.44 0.00 0.00 34.13 32.72 3kxy s GLU 36 CO -0.04 -0.07 2.25 0.34 0.95 0.00 0.00 175.26 178.68 3kxy s ASP 37 N -3.41 5.03 -0.03 0.83 3.68 -1.26 -4.70 116.67 116.81 3kxy s ASP 37 Ca 0.31 1.40 0.04 0.00 2.13 0.00 0.00 52.55 56.44 3kxy s ASP 37 Cb 0.06 -2.51 0.06 0.00 -1.45 0.00 0.00 42.92 39.08 3kxy s ASP 37 CO 0.12 -2.37 0.91 0.54 0.13 0.00 0.00 175.17 174.50 3kxy n ARG 38 N 8.87 1.43 -0.00 4.34 1.74 -1.26 -4.52 116.66 127.26 3kxy n ARG 38 Ca 0.32 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 3kxy n ARG 38 Cb 0.50 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3kxy n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kxy n SER 39 N -0.51 1.45 -4.39 0.55 2.88 -1.26 -5.04 113.62 107.29 3kxy n SER 39 Ca 0.04 -1.42 -0.24 0.00 -1.33 0.00 0.00 58.87 55.92 3kxy n SER 39 Cb 0.46 -0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 3kxy n SER 39 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3kxy s SER 40 N -0.43 3.13 0.09 -3.46 0.15 -1.26 -5.04 113.70 106.87 3kxy s SER 40 Ca 0.01 -0.90 -0.06 0.00 0.70 0.00 0.00 55.95 55.69 3kxy s SER 40 Cb 0.01 -0.22 -0.24 0.00 -1.71 0.00 0.00 66.02 63.86 3kxy s SER 40 CO 0.01 0.03 1.17 -0.37 1.20 0.00 0.00 173.24 175.28 3kxy h VAL 41 N 3.01 1.44 -0.24 4.45 -1.51 -1.97 -2.95 116.25 118.48 3kxy h VAL 41 Ca -0.43 -2.83 -0.13 0.00 -1.23 0.00 0.00 66.70 62.08 3kxy h VAL 41 Cb 1.22 2.80 -0.00 0.00 -2.13 0.00 0.00 31.29 33.17 3kxy h VAL 41 CO 0.52 0.83 -0.37 0.00 -1.23 0.00 0.00 177.57 177.32 3kxy h ALA 42 N 0.57 0.37 -0.58 5.19 0.00 -1.96 0.54 119.26 123.39 3kxy h ALA 42 Ca -0.13 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.34 3kxy h ALA 42 Cb 1.88 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 3kxy h ALA 42 CO 0.20 0.45 0.38 0.78 0.00 0.00 0.00 179.25 181.06 3kxy h GLY 43 N 0.39 0.82 0.22 0.00 0.00 -1.88 -0.09 103.07 102.54 3kxy h GLY 43 Ca 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kxy h GLY 43 CO 0.09 0.30 -0.02 1.41 0.00 0.00 0.00 176.54 178.31 3kxy h LEU 44 N 0.79 -0.05 -0.77 3.11 3.38 -1.42 -2.72 115.31 117.63 3kxy h LEU 44 Ca 0.21 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.65 3kxy h LEU 44 Cb -0.09 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3kxy h LEU 44 CO -0.05 0.66 0.43 0.00 0.09 0.00 0.00 178.44 179.58 3kxy h ALA 45 N -0.05 1.08 0.00 1.53 0.00 -0.72 -0.44 119.26 120.66 3kxy h ALA 45 Ca -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3kxy h ALA 45 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kxy h ALA 45 CO 0.01 0.08 -0.30 -0.09 0.00 0.00 0.00 179.25 178.95 3kxy h ARG 46 N 0.75 0.00 -0.01 0.00 2.43 -1.14 -3.07 114.38 113.35 3kxy h ARG 46 Ca 0.36 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.31 3kxy h ARG 46 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3kxy h ARG 46 CO -0.23 0.30 -0.93 2.35 -1.51 0.00 0.00 179.97 179.95 3kxy h TRP 47 N 0.00 0.65 -0.51 2.20 7.01 -0.83 -3.30 115.95 121.18 3kxy h TRP 47 Ca -0.00 -0.35 -0.04 0.00 2.11 0.00 0.00 58.89 60.61 3kxy h TRP 47 Cb 0.95 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 3kxy h TRP 47 CO 0.00 1.16 0.15 -0.07 -2.79 0.00 0.00 178.44 176.89 3kxy h LEU 48 N 0.26 0.75 -2.25 0.65 3.38 -1.05 -2.85 115.31 114.18 3kxy h LEU 48 Ca -0.08 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3kxy h LEU 48 Cb 1.56 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3kxy h LEU 48 CO 0.16 0.76 0.03 0.00 0.09 0.00 0.00 178.44 179.48 3kxy h ALA 49 N 1.01 1.76 0.00 1.53 0.00 -1.62 0.25 119.26 122.20 3kxy h ALA 49 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kxy h ALA 49 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kxy h ALA 49 CO -0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 179.25 178.86 3kxy h ARG 50 N 0.00 0.00 0.00 0.00 3.08 -1.59 -3.36 114.38 112.51 3kxy h ARG 50 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kxy h ARG 50 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3kxy h ARG 50 CO -0.00 0.00 -0.39 0.09 -1.07 0.00 0.00 179.97 178.60 3kxy n ASN 51 N -2.33 1.96 0.00 7.04 3.02 -0.59 -5.14 115.26 119.21 3kxy n ASN 51 Ca 0.04 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3kxy n ASN 51 Cb 0.46 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.60 3kxy n ASN 51 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3kxy n VAL 52 N -1.17 0.00 0.00 2.41 0.24 0.77 -5.10 118.33 115.48 3kxy n VAL 52 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kxy n VAL 52 Cb 0.00 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 3kxy n VAL 52 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kxy n GLU 59 N -0.78 0.00 0.13 7.34 2.13 -1.26 -4.97 120.64 123.22 3kxy n GLU 59 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kxy n GLU 59 Cb 0.00 -0.25 0.09 0.00 0.27 0.00 0.00 31.44 31.55 3kxy n GLU 59 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 3kxy h GLN 60 N 0.00 0.00 0.02 5.31 -0.00 -1.99 -0.04 115.11 118.41 3kxy h GLN 60 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 3kxy h GLN 60 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 3kxy h GLN 60 CO 0.00 0.63 -0.97 0.00 -0.00 0.00 0.00 178.83 178.49 3kxy h ALA 61 N 1.37 0.41 0.00 0.06 0.00 -2.04 -3.25 119.26 115.81 3kxy h ALA 61 Ca -0.01 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 3kxy h ALA 61 Cb 1.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3kxy h ALA 61 CO 0.08 1.05 -0.94 1.25 0.00 0.00 0.00 179.25 180.70 3kxy h LEU 62 N 0.05 0.00 -1.15 0.00 6.46 -1.97 -3.28 115.31 115.42 3kxy h LEU 62 Ca -0.04 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 3kxy h LEU 62 Cb 1.67 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.55 3kxy h LEU 62 CO 0.14 0.78 0.58 -0.61 -0.62 0.00 0.00 178.44 178.71 3kxy h GLN 63 N 0.00 1.09 -0.10 1.25 5.75 -1.04 0.89 115.11 122.95 3kxy h GLN 63 Ca -0.05 -0.07 -0.17 0.00 -0.15 0.00 0.00 58.65 58.22 3kxy h GLN 63 Cb 1.64 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 3kxy h GLN 63 CO 0.09 0.72 -0.65 0.00 -2.65 0.00 0.00 178.83 176.34 3kxy h ARG 64 N 1.12 0.40 0.00 1.69 3.08 -1.62 -2.73 114.38 116.32 3kxy h ARG 64 Ca 0.34 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3kxy h ARG 64 Cb -0.02 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3kxy h ARG 64 CO -0.09 0.92 -0.55 -0.07 -1.07 0.00 0.00 179.97 179.10 3kxy h LEU 65 N 0.29 0.00 -0.17 3.04 4.07 -1.50 -1.83 115.31 119.22 3kxy h LEU 65 Ca -0.01 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.73 3kxy h LEU 65 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 3kxy h LEU 65 CO 0.11 0.55 -0.96 0.00 -1.08 0.00 0.00 178.44 177.06 3kxy h ALA 66 N 1.45 0.40 0.00 1.53 0.00 -0.79 -3.17 119.26 118.67 3kxy h ALA 66 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3kxy h ALA 66 Cb 1.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kxy h ALA 66 CO 0.07 0.93 -0.47 -0.44 0.00 0.00 0.00 179.25 179.34 3kxy h ASP 67 N 0.12 0.00 0.00 0.00 5.19 -1.54 -3.48 116.42 116.71 3kxy h ASP 67 Ca -0.06 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3kxy h ASP 67 Cb 1.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.13 3kxy h ASP 67 CO 0.15 0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 3kxy n GLY 68 N 1.26 2.78 3.56 2.75 0.00 -0.95 -5.01 105.19 109.58 3kxy n GLY 68 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3kxy n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kxy s ASP 69 N -1.23 6.45 0.11 1.61 2.15 -0.73 -4.92 116.67 120.12 3kxy s ASP 69 Ca 0.00 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.55 3kxy s ASP 69 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3kxy s ASP 69 CO 0.00 -1.55 0.03 0.61 -0.17 0.00 0.00 175.17 174.09 3kxy n GLY 70 N 6.87 3.67 3.66 2.66 0.00 -1.26 -4.50 105.19 116.29 3kxy n GLY 70 Ca 0.33 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3kxy n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxy s THR 71 N -1.10 3.10 0.85 2.61 2.01 -1.26 -4.97 115.64 116.88 3kxy s THR 71 Ca 0.02 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 3kxy s THR 71 Cb -0.00 -3.10 0.11 0.00 0.01 0.00 0.00 72.50 69.51 3kxy s THR 71 CO 0.02 -0.01 1.12 -2.84 -0.69 0.00 0.00 174.62 172.21 3kxy s PRO 72 N 4.27 1.56 0.40 4.92 0.02 -1.26 -4.92 135.00 139.99 3kxy s PRO 72 Ca 0.85 1.35 0.28 0.00 0.02 0.00 0.00 61.00 63.51 3kxy s PRO 72 Cb -0.41 -1.80 1.14 0.00 0.02 0.00 0.00 34.50 33.44 3kxy s PRO 72 CO 0.39 -2.19 1.84 -0.07 -0.33 0.00 0.00 177.00 176.64 3kxy h LEU 73 N -1.54 0.00 -1.00 -5.54 3.38 -1.95 -3.01 115.31 105.64 3kxy h LEU 73 Ca -0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3kxy h LEU 73 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3kxy h LEU 73 CO 0.46 0.00 0.05 -0.33 0.09 0.00 0.00 178.44 178.72 3kxy h GLU 74 N 0.00 0.77 -0.00 1.13 3.07 -2.02 -2.63 114.58 114.91 3kxy h GLU 74 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3kxy h GLU 74 Cb 0.46 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3kxy h GLU 74 CO 0.00 0.75 -0.11 0.00 -1.40 0.00 0.00 179.01 178.25 3kxy n ALA 75 N -2.47 2.64 -2.06 3.43 0.00 -1.14 -4.82 120.51 116.10 3kxy n ALA 75 Ca 0.03 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3kxy n ALA 75 Cb 0.26 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 3kxy n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kxy s ARG 76 N -2.84 4.66 -0.17 0.00 1.81 -0.99 -5.05 118.95 116.36 3kxy s ARG 76 Ca 0.18 1.29 -0.14 0.00 -1.72 0.00 0.00 55.73 55.34 3kxy s ARG 76 Cb 0.19 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 3kxy s ARG 76 CO 0.54 0.43 0.31 0.95 -0.68 0.00 0.00 175.30 176.85 3kxy s THR 77 N -0.71 5.29 -0.06 0.02 -4.23 -1.26 -5.03 115.64 109.65 3kxy s THR 77 Ca 0.40 0.56 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 3kxy s THR 77 Cb -0.23 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 69.96 3kxy s THR 77 CO 0.28 0.36 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.82 3kxy s VAL 78 N 0.69 1.75 -0.04 2.29 1.01 -1.26 -5.11 120.40 119.73 3kxy s VAL 78 Ca 0.17 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3kxy s VAL 78 Cb -0.13 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.77 3kxy s VAL 78 CO 0.05 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.64 3kxy s ARG 79 N 0.11 0.38 0.82 2.72 1.70 -1.26 -5.15 118.95 118.28 3kxy s ARG 79 Ca -0.09 0.09 -0.13 0.00 -0.47 0.00 0.00 55.73 55.13 3kxy s ARG 79 Cb -0.14 -0.60 0.09 0.00 -0.57 0.00 0.00 34.95 33.73 3kxy s ARG 79 CO 0.04 -0.17 1.20 0.50 -1.08 0.00 0.00 175.30 175.80 3kxy s ARG 80 N 1.25 1.54 0.00 3.89 3.52 -1.26 -5.36 118.95 122.53 3kxy s ARG 80 Ca -0.06 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.28 3kxy s ARG 80 Cb -0.13 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.49 3kxy s ARG 80 CO -0.02 -2.29 0.00 -2.13 -0.81 0.00 0.00 175.30 170.05