#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxy s GLU 18 N 0.00 4.14 0.01 -2.82 2.12 -1.26 -4.95 118.70 115.94 3kxy s GLU 18 Ca 0.00 2.56 -0.30 0.00 0.36 0.00 0.00 54.97 57.59 3kxy s GLU 18 Cb 0.00 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 3kxy s GLU 18 CO 0.00 -0.80 0.99 0.00 -0.54 0.00 0.00 175.26 174.91 3kxy s ALA 19 N 2.32 3.17 -0.29 6.30 0.00 -1.26 -5.03 121.76 126.97 3kxy s ALA 19 Ca 0.78 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 3kxy s ALA 19 Cb -0.46 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.37 3kxy s ALA 19 CO 0.35 -0.23 -0.02 0.08 0.00 0.00 0.00 175.76 175.94 3kxy s VAL 20 N 0.96 2.86 0.79 0.00 1.01 -1.26 -4.60 120.40 120.16 3kxy s VAL 20 Ca 0.52 -1.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3kxy s VAL 20 Cb -0.21 -2.65 0.17 0.00 0.00 0.00 0.00 36.38 33.69 3kxy s VAL 20 CO 0.28 -0.10 1.08 0.61 0.00 0.00 0.00 175.10 176.97 3kxy n GLY 21 N 4.59 -0.36 2.91 4.51 0.00 0.20 -4.81 105.19 112.23 3kxy n GLY 21 Ca -0.13 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.26 -0.09 -0.14 1.61 2.46 -1.26 0.16 115.29 114.76 3kxy s HIS 22 Ca 0.66 0.29 -0.06 0.00 0.47 0.00 0.00 55.06 56.42 3kxy s HIS 22 Cb -0.03 -0.07 0.07 0.00 -0.13 0.00 0.00 32.58 32.42 3kxy s HIS 22 CO 0.45 -0.10 0.31 0.12 -2.47 0.00 0.00 174.74 173.05 3kxy s PHE 23 N 0.66 -0.50 -1.45 3.88 5.36 0.18 -4.93 117.98 121.18 3kxy s PHE 23 Ca -0.05 1.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.97 3kxy s PHE 23 Cb -0.07 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 3kxy s PHE 23 CO -0.03 -0.35 0.26 0.39 -1.46 0.00 0.00 175.22 174.02 3kxy n GLU 24 N 4.99 -1.90 -1.81 10.12 -0.58 -1.26 -0.13 120.64 130.08 3kxy n GLU 24 Ca -0.13 0.24 -0.11 0.00 -0.42 0.00 0.00 57.16 56.74 3kxy n GLU 24 Cb 0.51 -3.93 -0.03 0.00 -0.57 0.00 0.00 31.44 27.42 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 -2.26 0.52 3.06 0.62 0.00 -1.26 -5.01 105.19 100.86 3kxy n GLY 25 Ca -0.30 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.82 0.83 0.37 1.61 0.52 0.81 -5.14 118.95 114.13 3kxy s ARG 26 Ca 0.00 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.52 3kxy s ARG 26 Cb 0.00 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.57 3kxy s ARG 26 CO 0.00 0.21 0.97 -1.54 0.02 0.00 0.00 175.30 174.97 3kxy s SER 27 N -0.45 7.10 -0.08 0.23 1.04 -1.26 0.49 113.70 120.77 3kxy s SER 27 Ca 0.03 1.86 0.01 0.00 0.48 0.00 0.00 55.95 58.33 3kxy s SER 27 Cb -0.05 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.52 3kxy s SER 27 CO -0.00 -0.24 -0.09 -0.69 0.98 0.00 0.00 173.24 173.19 3kxy s VAL 28 N -1.75 1.02 -0.01 5.02 1.01 0.12 -4.85 120.40 120.96 3kxy s VAL 28 Ca 0.55 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3kxy s VAL 28 Cb -0.17 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3kxy s VAL 28 CO 0.22 0.34 -0.17 0.42 0.00 0.00 0.00 175.10 175.92 3kxy s THR 29 N 1.11 1.32 0.23 3.92 -4.23 -1.26 0.58 115.64 117.30 3kxy s THR 29 Ca -0.07 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 3kxy s THR 29 Cb -0.14 -1.10 -0.09 0.00 1.34 0.00 0.00 72.50 72.50 3kxy s THR 29 CO -0.01 0.35 1.30 -0.60 -0.54 0.00 0.00 174.62 175.11 3kxy s ARG 30 N -0.46 4.40 0.15 3.99 3.52 -1.26 -5.02 118.95 124.26 3kxy s ARG 30 Ca 0.06 2.08 0.11 0.00 -0.13 0.00 0.00 55.73 57.85 3kxy s ARG 30 Cb -0.07 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3kxy s ARG 30 CO -0.00 -0.21 -0.26 0.00 -0.81 0.00 0.00 175.30 174.01 3kxy s ALA 31 N -0.20 2.40 0.28 6.12 0.00 -1.26 -5.11 121.76 123.99 3kxy s ALA 31 Ca 0.55 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 3kxy s ALA 31 Cb -0.37 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.29 3kxy s ALA 31 CO 0.41 0.49 1.41 0.00 0.00 0.00 0.00 175.76 178.07 3kxy s ALA 32 N -1.29 3.59 -0.35 0.00 0.00 -1.26 -4.96 121.76 117.49 3kxy s ALA 32 Ca 0.16 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 3kxy s ALA 32 Cb -0.09 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3kxy s ALA 32 CO 0.07 -0.74 1.08 0.08 0.00 0.00 0.00 175.76 176.25 3kxy s VAL 33 N -0.35 4.45 -0.05 0.00 1.01 -1.26 -4.97 120.40 119.23 3kxy s VAL 33 Ca 0.56 1.62 -0.37 0.00 0.00 0.00 0.00 61.98 63.79 3kxy s VAL 33 Cb -0.42 -4.45 -0.15 0.00 0.00 0.00 0.00 36.38 31.36 3kxy s VAL 33 CO 0.47 -0.59 1.57 0.54 0.00 0.00 0.00 175.10 177.09 3kxy n ARG 34 N 7.06 1.37 -0.97 2.72 1.74 -1.26 -4.79 116.66 122.54 3kxy n ARG 34 Ca 0.12 0.50 -0.12 0.00 -0.77 0.00 0.00 57.85 57.57 3kxy n ARG 34 Cb 0.47 -2.19 -0.16 0.00 -1.02 0.00 0.00 32.46 29.56 3kxy n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kxy n GLY 35 N 3.42 2.96 3.56 -0.13 0.00 -1.26 -4.83 105.19 108.90 3kxy n GLY 35 Ca 0.22 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3kxy n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kxy s GLU 36 N 1.12 3.66 -0.54 1.61 2.12 -1.26 -5.02 118.70 120.39 3kxy s GLU 36 Ca 0.65 -0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.34 3kxy s GLU 36 Cb 0.30 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 3kxy s GLU 36 CO -0.00 -0.44 1.97 0.34 -0.54 0.00 0.00 175.26 176.59 3kxy s ASP 37 N 1.72 5.19 0.00 -1.70 -1.08 -1.26 -4.81 116.67 114.74 3kxy s ASP 37 Ca 0.11 0.67 0.19 0.00 -0.52 0.00 0.00 52.55 53.00 3kxy s ASP 37 Cb -0.16 -2.52 0.27 0.00 -1.46 0.00 0.00 42.92 39.04 3kxy s ASP 37 CO 0.11 -2.38 1.22 0.54 0.52 0.00 0.00 175.17 175.18 3kxy n ARG 38 N 9.03 2.03 -0.02 4.34 1.74 -1.26 -4.14 116.66 128.38 3kxy n ARG 38 Ca 0.24 -1.90 0.06 0.00 -0.77 0.00 0.00 57.85 55.48 3kxy n ARG 38 Cb 0.52 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.61 3kxy n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kxy n SER 39 N 1.16 2.09 -4.65 0.55 3.41 -1.26 -4.98 113.62 109.94 3kxy n SER 39 Ca 0.14 -1.55 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 3kxy n SER 39 Cb 0.51 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 3kxy n SER 39 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kxy s SER 40 N -0.97 6.93 0.10 4.04 0.15 -1.26 -4.93 113.70 117.76 3kxy s SER 40 Ca 0.15 1.16 -0.18 0.00 0.70 0.00 0.00 55.95 57.79 3kxy s SER 40 Cb 0.10 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 3kxy s SER 40 CO 0.15 -0.55 1.56 0.58 1.20 0.00 0.00 173.24 176.18 3kxy h VAL 41 N 5.41 1.24 -0.58 4.45 2.07 -1.95 -1.21 116.25 125.68 3kxy h VAL 41 Ca -0.23 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.53 3kxy h VAL 41 Cb 1.09 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 3kxy h VAL 41 CO 0.90 0.27 0.23 0.00 0.02 0.00 0.00 177.57 179.00 3kxy h ALA 42 N 0.86 0.74 -0.19 1.67 0.00 -1.93 0.24 119.26 120.65 3kxy h ALA 42 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kxy h ALA 42 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kxy h ALA 42 CO 0.01 -0.17 0.11 0.78 0.00 0.00 0.00 179.25 179.98 3kxy h GLY 43 N 0.43 0.27 0.90 0.00 0.00 -1.87 -1.06 103.07 101.74 3kxy h GLY 43 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3kxy h GLY 43 CO -0.27 0.11 0.08 -2.00 0.00 0.00 0.00 176.54 174.46 3kxy h LEU 44 N 0.21 0.48 -1.13 3.11 5.85 -0.82 -1.64 115.31 121.37 3kxy h LEU 44 Ca 0.07 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.58 3kxy h LEU 44 Cb 0.05 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3kxy h LEU 44 CO -0.01 0.59 0.59 0.00 -0.34 0.00 0.00 178.44 179.27 3kxy h ALA 45 N 0.91 1.41 -0.19 1.25 0.00 -0.45 -0.89 119.26 121.31 3kxy h ALA 45 Ca 0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3kxy h ALA 45 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kxy h ALA 45 CO 0.00 0.52 -0.40 -0.09 0.00 0.00 0.00 179.25 179.28 3kxy h ARG 46 N 1.15 0.43 -0.44 0.00 2.43 -0.99 -2.59 114.38 114.37 3kxy h ARG 46 Ca 0.35 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 3kxy h ARG 46 Cb -0.04 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3kxy h ARG 46 CO -0.09 0.76 -0.26 2.35 -1.51 0.00 0.00 179.97 181.21 3kxy h TRP 47 N 0.35 1.12 -0.68 2.20 7.01 -0.35 -2.80 115.95 122.81 3kxy h TRP 47 Ca 0.03 -0.29 -0.05 0.00 2.11 0.00 0.00 58.89 60.69 3kxy h TRP 47 Cb 0.86 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 3kxy h TRP 47 CO 0.03 1.12 0.23 -0.07 -2.79 0.00 0.00 178.44 176.95 3kxy h LEU 48 N 0.80 0.96 -1.32 0.65 3.38 -1.05 -0.99 115.31 117.75 3kxy h LEU 48 Ca 0.09 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kxy h LEU 48 Cb 0.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3kxy h LEU 48 CO 0.07 0.89 -0.26 0.00 0.09 0.00 0.00 178.44 179.23 3kxy h ALA 49 N 1.25 1.13 0.14 1.53 0.00 -1.38 0.24 119.26 122.17 3kxy h ALA 49 Ca 0.23 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3kxy h ALA 49 Cb 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kxy h ALA 49 CO -0.01 0.32 -1.67 0.00 0.00 0.00 0.00 179.25 177.89 3kxy h ARG 50 N 0.00 0.30 0.00 0.00 3.08 -1.16 -3.35 114.38 113.25 3kxy h ARG 50 Ca -0.00 -0.51 -0.17 0.00 0.07 0.00 0.00 59.98 59.36 3kxy h ARG 50 Cb 0.66 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3kxy h ARG 50 CO 0.03 1.18 -1.82 0.09 -1.07 0.00 0.00 179.97 178.38 3kxy n ASN 51 N -3.49 1.83 0.00 7.04 3.02 -0.42 -4.91 115.26 118.33 3kxy n ASN 51 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3kxy n ASN 51 Cb 1.06 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 41.26 3kxy n ASN 51 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kxy n VAL 52 N -2.35 0.00 -3.64 2.41 0.31 0.72 -5.07 118.33 110.72 3kxy n VAL 52 Ca -0.16 0.11 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 3kxy n VAL 52 Cb 0.77 -0.99 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 3kxy n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kxy s ALA 53 N -3.46 -1.93 0.20 3.52 0.00 -0.40 -5.00 121.76 114.68 3kxy s ALA 53 Ca 0.00 1.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 3kxy s ALA 53 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 23.12 21.66 3kxy s ALA 53 CO 0.00 -0.26 1.17 0.20 0.00 0.00 0.00 175.76 176.87 3kxy s GLY 54 N 0.27 2.76 -0.30 0.00 0.00 -1.26 -4.09 107.32 104.70 3kxy s GLY 54 Ca 0.02 0.93 -0.09 0.00 0.00 0.00 0.00 44.72 45.58 3kxy s GLY 54 CO -0.05 1.78 0.68 -0.35 0.00 0.00 0.00 173.10 175.16 3kxy s ASP 55 N -0.04 -1.13 0.00 1.64 -1.08 -1.26 -5.02 116.67 109.78 3kxy s ASP 55 Ca 0.51 1.33 0.06 0.00 -0.52 0.00 0.00 52.55 53.93 3kxy s ASP 55 Cb -0.32 2.20 0.29 0.00 -1.46 0.00 0.00 42.92 43.63 3kxy s ASP 55 CO 0.37 -0.21 1.01 -2.65 0.52 0.00 0.00 175.17 174.20 3kxy n PRO 56 N 5.40 0.09 -0.02 4.34 -0.02 -1.26 -1.57 135.00 141.97 3kxy n PRO 56 Ca -0.09 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 3kxy n PRO 56 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 3kxy n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kxy n ARG 57 N -1.26 0.66 0.04 -0.52 1.74 -1.26 -4.66 116.66 111.40 3kxy n ARG 57 Ca 0.03 -0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 3kxy n ARG 57 Cb 0.04 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 3kxy n ARG 57 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3kxy h SER 58 N 0.00 -0.64 0.27 0.55 0.02 -1.71 -1.91 113.55 110.13 3kxy h SER 58 Ca -0.13 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3kxy h SER 58 Cb 1.31 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 3kxy h SER 58 CO 0.01 -0.27 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.13 3kxy h GLU 59 N -0.31 -0.47 -0.20 3.45 4.81 -1.83 0.11 114.58 120.13 3kxy h GLU 59 Ca 0.07 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3kxy h GLU 59 Cb 0.42 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3kxy h GLU 59 CO -0.23 -0.31 -0.42 1.96 -0.73 0.00 0.00 179.01 179.28 3kxy h GLN 60 N -0.49 0.48 0.00 1.92 1.08 -1.86 0.26 115.11 116.50 3kxy h GLN 60 Ca -0.02 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 56.89 3kxy h GLN 60 Cb 0.43 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3kxy h GLN 60 CO -0.02 0.82 -0.23 0.00 -0.95 0.00 0.00 178.83 178.45 3kxy h ALA 61 N 1.15 1.54 0.00 3.87 0.00 -1.13 0.54 119.26 125.24 3kxy h ALA 61 Ca 0.03 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 3kxy h ALA 61 Cb 0.90 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3kxy h ALA 61 CO 0.08 0.29 -1.19 1.25 0.00 0.00 0.00 179.25 179.68 3kxy h LEU 62 N 0.00 0.00 -0.39 0.00 5.85 -0.06 -2.94 115.31 117.77 3kxy h LEU 62 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3kxy h LEU 62 Cb 0.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3kxy h LEU 62 CO 0.03 0.96 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.28 3kxy h GLN 63 N 0.00 0.82 -0.72 1.25 5.75 0.12 -2.61 115.11 119.72 3kxy h GLN 63 Ca -0.09 -0.36 -0.03 0.00 -0.15 0.00 0.00 58.65 58.01 3kxy h GLN 63 Cb 1.81 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 30.31 3kxy h GLN 63 CO 0.11 0.99 0.31 0.00 -2.65 0.00 0.00 178.83 177.59 3kxy h ARG 64 N 0.62 1.04 -0.02 1.69 3.08 -0.97 -2.14 114.38 117.68 3kxy h ARG 64 Ca 0.09 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kxy h ARG 64 Cb 0.75 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3kxy h ARG 64 CO 0.06 0.83 0.01 -0.07 -1.07 0.00 0.00 179.97 179.72 3kxy h LEU 65 N 1.03 0.03 -1.04 3.04 3.38 -1.43 0.22 115.31 120.53 3kxy h LEU 65 Ca 0.24 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3kxy h LEU 65 Cb 0.15 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3kxy h LEU 65 CO -0.03 0.14 0.64 0.00 0.09 0.00 0.00 178.44 179.28 3kxy h ALA 66 N 0.89 1.41 0.00 1.53 0.00 -1.30 -1.01 119.26 120.78 3kxy h ALA 66 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kxy h ALA 66 Cb 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kxy h ALA 66 CO -0.00 0.45 0.00 -0.44 0.00 0.00 0.00 179.25 179.26 3kxy h ASP 67 N 1.17 0.00 0.00 0.00 3.32 -1.21 -3.47 116.42 116.23 3kxy h ASP 67 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3kxy h ASP 67 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kxy h ASP 67 CO -0.15 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 3kxy n GLY 68 N 0.74 0.75 2.28 2.75 0.00 -0.38 -4.97 105.19 106.36 3kxy n GLY 68 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3kxy n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kxy n ASP 69 N 0.00 6.77 -3.48 1.61 8.00 0.66 -4.92 116.55 125.18 3kxy n ASP 69 Ca 0.00 -2.82 -0.16 0.00 0.71 0.00 0.00 54.79 52.52 3kxy n ASP 69 Cb 0.00 -1.38 0.10 0.00 -0.02 0.00 0.00 41.12 39.81 3kxy n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kxy n GLY 70 N 2.11 -0.04 3.70 0.44 0.00 -1.26 -4.70 105.19 105.45 3kxy n GLY 70 Ca 0.55 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.23 3.12 0.32 2.61 2.01 -1.26 -4.98 115.64 115.22 3kxy s THR 71 Ca 0.44 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 3kxy s THR 71 Cb -0.02 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 3kxy s THR 71 CO 0.30 0.03 1.31 -2.84 -0.69 0.00 0.00 174.62 172.73 3kxy s PRO 72 N 1.77 4.36 0.27 4.92 0.02 -1.26 -4.93 135.00 140.14 3kxy s PRO 72 Ca 0.69 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.90 3kxy s PRO 72 Cb -0.39 -3.08 0.49 0.00 0.02 0.00 0.00 34.50 31.54 3kxy s PRO 72 CO 0.30 -0.20 1.82 -0.07 -0.33 0.00 0.00 177.00 178.53 3kxy h LEU 73 N 3.65 0.81 0.00 -5.54 3.38 -1.97 -0.23 115.31 115.41 3kxy h LEU 73 Ca -0.48 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kxy h LEU 73 Cb 1.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kxy h LEU 73 CO 0.67 0.44 0.00 -1.84 0.09 0.00 0.00 178.44 177.80 3kxy n GLU 74 N -4.68 0.13 0.00 1.13 0.00 -1.26 -1.50 120.64 114.47 3kxy n GLU 74 Ca 0.17 0.20 0.12 0.00 0.00 0.00 0.00 57.16 57.65 3kxy n GLU 74 Cb 0.33 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.56 3kxy n GLU 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kxy n ALA 75 N -1.32 3.40 -2.88 -1.84 0.00 -0.10 -4.91 120.51 112.86 3kxy n ALA 75 Ca 0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 3kxy n ALA 75 Cb 0.09 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.97 3.13 -0.13 0.00 0.52 -0.56 -5.05 118.95 113.89 3kxy s ARG 76 Ca 0.12 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 3kxy s ARG 76 Cb 0.18 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 3kxy s ARG 76 CO 0.67 0.42 0.36 0.95 0.02 0.00 0.00 175.30 177.72 3kxy s THR 77 N -2.05 5.25 -0.08 0.02 -4.23 -1.26 -5.06 115.64 108.23 3kxy s THR 77 Ca 0.33 0.69 0.05 0.00 -1.18 0.00 0.00 61.69 61.58 3kxy s THR 77 Cb -0.08 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 3kxy s THR 77 CO 0.26 0.39 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.80 3kxy s VAL 78 N 0.35 2.04 -0.06 2.29 1.01 -1.26 -5.12 120.40 119.65 3kxy s VAL 78 Ca 0.20 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3kxy s VAL 78 Cb -0.14 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3kxy s VAL 78 CO 0.07 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.88 3kxy s ARG 79 N 0.16 0.13 0.30 2.72 1.70 -1.26 -5.15 118.95 117.55 3kxy s ARG 79 Ca -0.13 0.31 -0.29 0.00 -0.47 0.00 0.00 55.73 55.15 3kxy s ARG 79 Cb -0.16 -0.07 -0.10 0.00 -0.57 0.00 0.00 34.95 34.05 3kxy s ARG 79 CO 0.07 -0.11 1.14 0.50 -1.08 0.00 0.00 175.30 175.83 3kxy s ARG 80 N 0.74 4.52 0.00 3.89 3.52 -1.26 -5.35 118.95 125.01 3kxy s ARG 80 Ca -0.05 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 3kxy s ARG 80 Cb -0.07 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3kxy s ARG 80 CO -0.04 0.08 0.13 2.89 -0.81 0.00 0.00 175.30 177.55