#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y s ALA 2 N 0.00 0.50 -0.29 3.04 0.00 -1.26 -4.91 121.76 118.85 2k0y s ALA 2 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2k0y s ALA 2 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2k0y s ALA 2 CO 0.00 -1.43 0.48 0.99 0.00 0.00 0.00 175.76 175.80 2k0y s THR 3 N 2.13 5.08 0.61 0.00 2.01 -1.26 -4.96 115.64 119.25 2k0y s THR 3 Ca 0.06 0.66 -0.19 0.00 0.31 0.00 0.00 61.69 62.54 2k0y s THR 3 Cb -0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2k0y s THR 3 CO -0.24 0.03 1.08 -0.11 -0.69 0.00 0.00 174.62 174.68 2k0y n LEU 4 N 5.54 4.42 -4.69 4.42 7.94 -1.26 -4.96 117.00 128.41 2k0y n LEU 4 Ca -0.05 0.83 -0.39 0.00 -1.11 0.00 0.00 56.01 55.28 2k0y n LEU 4 Cb 0.50 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 2k0y n LEU 4 CO 0.41 -1.54 0.28 -0.76 -1.11 0.00 0.00 177.39 174.67 2k0y s LEU 5 N -2.70 4.22 0.59 -1.96 1.43 -1.26 -4.99 118.68 114.01 2k0y s LEU 5 Ca 0.77 0.86 0.09 0.00 -1.03 0.00 0.00 54.13 54.83 2k0y s LEU 5 Cb -0.41 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.08 2k0y s LEU 5 CO 0.46 -0.13 0.78 0.42 0.23 0.00 0.00 176.35 178.10 2k0y s THR 6 N 1.21 1.96 0.25 5.49 -4.23 -1.26 -4.89 115.64 114.16 2k0y s THR 6 Ca 0.29 -1.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 2k0y s THR 6 Cb -0.16 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 71.90 2k0y s THR 6 CO 0.12 0.00 1.88 0.74 -0.54 0.00 0.00 174.62 176.82 2k0y h THR 7 N 0.18 1.13 0.20 3.99 2.02 -1.97 0.36 112.91 118.82 2k0y h THR 7 Ca -0.29 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2k0y h THR 7 Cb 1.29 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2k0y h THR 7 CO 0.42 0.21 -0.21 -0.78 0.37 0.00 0.00 175.52 175.53 2k0y h ASP 8 N 1.14 -0.55 0.20 4.18 1.82 -1.95 0.18 116.42 121.44 2k0y h ASP 8 Ca 0.38 0.05 -0.12 0.00 -0.39 0.00 0.00 57.03 56.95 2k0y h ASP 8 Cb 0.05 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2k0y h ASP 8 CO -0.13 -0.31 -0.44 -0.78 -1.61 0.00 0.00 179.24 175.97 2k0y h ASP 9 N -0.44 0.33 -0.28 2.28 1.82 -1.88 -2.39 116.42 115.86 2k0y h ASP 9 Ca 0.00 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 2k0y h ASP 9 Cb 0.42 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2k0y h ASP 9 CO -0.06 0.73 0.04 0.25 -1.61 0.00 0.00 179.24 178.60 2k0y h LEU 10 N 0.25 0.44 -0.73 2.28 5.85 -0.64 -2.03 115.31 120.74 2k0y h LEU 10 Ca 0.02 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.57 2k0y h LEU 10 Cb 0.89 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 2k0y h LEU 10 CO 0.07 0.60 0.36 -0.09 -0.34 0.00 0.00 178.44 179.04 2k0y h ARG 11 N 0.27 0.58 -0.57 1.25 2.43 -0.51 -1.39 114.38 116.44 2k0y h ARG 11 Ca 0.08 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2k0y h ARG 11 Cb 0.35 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2k0y h ARG 11 CO 0.01 0.38 0.23 -0.09 -1.51 0.00 0.00 179.97 178.99 2k0y h ARG 12 N 0.59 0.41 -0.88 0.20 2.43 -0.92 -1.19 114.38 115.03 2k0y h ARG 12 Ca 0.36 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2k0y h ARG 12 Cb 0.41 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2k0y h ARG 12 CO -0.29 0.27 0.52 0.00 -1.51 0.00 0.00 179.97 178.97 2k0y h ALA 13 N 1.37 1.13 -0.41 2.80 0.00 -0.57 0.23 119.26 123.81 2k0y h ALA 13 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2k0y h ALA 13 Cb 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k0y h ALA 13 CO -0.26 0.60 0.09 -0.07 0.00 0.00 0.00 179.25 179.60 2k0y h LEU 14 N 1.22 0.63 -0.17 0.00 4.07 -0.86 -0.05 115.31 120.15 2k0y h LEU 14 Ca 0.32 -0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2k0y h LEU 14 Cb -0.03 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 2k0y h LEU 14 CO -0.06 0.71 0.07 0.58 -1.08 0.00 0.00 178.44 178.66 2k0y h VAL 15 N 0.52 1.16 -0.18 1.22 2.07 -0.61 0.80 116.25 121.24 2k0y h VAL 15 Ca 0.13 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2k0y h VAL 15 Cb 0.33 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2k0y h VAL 15 CO 0.00 0.15 -0.04 -0.33 0.02 0.00 0.00 177.57 177.37 2k0y h GLU 16 N 0.11 0.26 0.08 1.57 5.08 -0.47 0.21 114.58 121.44 2k0y h GLU 16 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0y h GLU 16 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2k0y h GLU 16 CO -0.00 0.33 -0.04 1.03 -1.00 0.00 0.00 179.01 179.32 2k0y h SER 17 N 0.26 -0.10 -0.11 1.42 0.87 -0.67 -3.36 113.55 111.86 2k0y h SER 17 Ca 0.06 -0.51 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 2k0y h SER 17 Cb 0.25 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k0y h SER 17 CO 0.01 0.55 -0.39 0.00 -0.53 0.00 0.00 176.83 176.46 2k0y h ALA 18 N -0.13 0.20 0.00 6.23 0.00 -0.77 -3.48 119.26 121.30 2k0y h ALA 18 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k0y h ALA 18 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k0y h ALA 18 CO 0.02 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2k0y n GLY 19 N 0.62 1.03 3.51 0.00 0.00 0.74 -4.74 105.19 106.35 2k0y n GLY 19 Ca -0.08 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2k0y n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0y s GLU 20 N 0.00 3.25 0.00 1.61 8.01 -1.26 -4.86 118.70 125.46 2k0y s GLU 20 Ca 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 54.97 54.60 2k0y s GLU 20 Cb 0.00 -4.13 0.00 0.00 -4.31 0.00 0.00 34.13 25.69 2k0y s GLU 20 CO 0.00 -1.76 0.00 -2.37 0.01 0.00 0.00 175.26 171.14 2k0y n THR 21 N 6.21 0.00 -4.41 3.63 5.66 -1.26 -5.14 114.28 118.96 2k0y n THR 21 Ca 0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.70 2k0y n THR 21 Cb 0.47 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.09 2k0y n THR 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k0y s ASP 22 N 1.00 2.85 -1.43 1.09 2.15 -1.26 -5.02 116.67 116.05 2k0y s ASP 22 Ca 0.00 -0.54 -0.09 0.00 0.43 0.00 0.00 52.55 52.35 2k0y s ASP 22 Cb 0.00 -1.30 0.05 0.00 -0.30 0.00 0.00 42.92 41.37 2k0y s ASP 22 CO 0.00 0.02 2.42 0.61 -0.17 0.00 0.00 175.17 178.06 2k0y n GLY 23 N 4.32 4.70 3.56 2.66 0.00 -1.26 -4.92 105.19 114.25 2k0y n GLY 23 Ca -0.19 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 2k0y n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k0y n THR 24 N 3.19 -0.03 -1.88 2.61 5.66 -1.26 -1.59 114.28 120.99 2k0y n THR 24 Ca 0.61 -0.59 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 2k0y n THR 24 Cb 0.29 -2.23 -0.04 0.00 -1.55 0.00 0.00 70.33 66.81 2k0y n THR 24 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2k0y n ASP 25 N 17.94 -4.88 0.08 1.09 8.00 -1.26 -4.87 116.55 132.65 2k0y n ASP 25 Ca 0.44 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 56.03 2k0y n ASP 25 Cb 0.46 -3.90 -0.04 0.00 -0.02 0.00 0.00 41.12 37.62 2k0y n ASP 25 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2k0y h LEU 26 N 0.00 0.33 -9.76 0.64 5.85 -1.67 -3.40 115.31 107.30 2k0y h LEU 26 Ca -0.36 -0.28 -0.53 0.00 0.84 0.00 0.00 57.88 57.55 2k0y h LEU 26 Cb 1.17 -0.10 0.07 0.00 0.37 0.00 0.00 40.66 42.17 2k0y h LEU 26 CO 0.47 1.11 0.90 -0.44 -0.34 0.00 0.00 178.44 180.14 2k0y s SER 27 N -6.98 6.41 0.18 1.25 0.01 -1.26 -4.13 113.70 109.17 2k0y s SER 27 Ca -0.04 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.12 2k0y s SER 27 Cb 0.09 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k0y s SER 27 CO 0.84 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2k0y n GLY 28 N 2.59 0.63 3.31 3.44 0.00 -1.26 -4.64 105.19 109.25 2k0y n GLY 28 Ca 0.10 -1.15 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 2k0y n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k0y s ASP 29 N -4.00 6.25 -0.06 1.61 1.11 -1.26 -4.63 116.67 115.68 2k0y s ASP 29 Ca 0.00 -1.90 0.15 0.00 0.18 0.00 0.00 52.55 50.99 2k0y s ASP 29 Cb 0.00 -2.21 0.55 0.00 1.07 0.00 0.00 42.92 42.33 2k0y s ASP 29 CO 0.00 -0.82 1.44 2.22 1.18 0.00 0.00 175.17 179.18 2k0y n PHE 30 N 5.10 1.05 0.13 4.23 -1.74 -1.26 -4.60 117.46 120.36 2k0y n PHE 30 Ca -0.11 -0.44 0.19 0.00 -0.56 0.00 0.00 57.45 56.53 2k0y n PHE 30 Cb 0.41 -0.14 0.69 0.00 1.52 0.00 0.00 39.48 41.96 2k0y n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2k0y h LEU 31 N 3.27 0.00 -0.16 5.98 3.38 -1.93 0.19 115.31 126.03 2k0y h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0y h LEU 31 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2k0y h LEU 31 CO 0.13 0.00 -0.71 -0.67 0.09 0.00 0.00 178.44 177.27 2k0y n ASP 32 N -3.38 0.97 -4.68 -0.43 2.03 -1.26 -3.35 116.55 106.44 2k0y n ASP 32 Ca 0.07 -0.82 -0.43 0.00 0.52 0.00 0.00 54.79 54.13 2k0y n ASP 32 Cb 0.69 0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 41.69 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k0y s LEU 33 N -2.89 4.21 0.30 -2.67 2.01 0.67 -4.98 118.68 115.33 2k0y s LEU 33 Ca 0.12 1.54 -0.28 0.00 0.01 0.00 0.00 54.13 55.52 2k0y s LEU 33 Cb 0.17 -3.55 -0.09 0.00 0.01 0.00 0.00 46.19 42.73 2k0y s LEU 33 CO 0.75 -0.54 1.06 -0.13 1.01 0.00 0.00 176.35 178.50 2k0y s ARG 34 N 2.42 4.56 0.23 1.70 0.52 -1.26 -4.26 118.95 122.86 2k0y s ARG 34 Ca 0.49 1.68 -0.08 0.00 -0.52 0.00 0.00 55.73 57.29 2k0y s ARG 34 Cb -0.18 -3.04 0.20 0.00 0.52 0.00 0.00 34.95 32.45 2k0y s ARG 34 CO 0.15 0.17 1.90 0.74 0.02 0.00 0.00 175.30 178.29 2k0y h PHE 35 N 3.54 1.09 -0.16 -0.53 0.04 -1.79 -0.01 116.94 119.11 2k0y h PHE 35 Ca -0.47 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.38 2k0y h PHE 35 Cb 1.21 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 2k0y h PHE 35 CO 0.59 0.69 0.15 1.49 -0.60 0.00 0.00 178.31 180.63 2k0y h GLU 36 N 1.18 0.00 0.08 1.51 4.57 -1.81 0.23 114.58 120.34 2k0y h GLU 36 Ca 0.32 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.21 2k0y h GLU 36 Cb -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2k0y h GLU 36 CO -0.07 0.00 -1.49 0.22 -1.18 0.00 0.00 179.01 176.49 2k0y h ASP 37 N 0.00 0.26 -0.42 1.04 3.58 -1.35 -3.31 116.42 116.22 2k0y h ASP 37 Ca 0.08 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2k0y h ASP 37 Cb 0.37 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k0y h ASP 37 CO -0.00 1.31 0.00 2.30 -2.88 0.00 0.00 179.24 179.97 2k0y n ILE 38 N -3.37 1.47 -2.53 2.25 -5.35 -0.62 -4.89 119.36 106.32 2k0y n ILE 38 Ca -0.14 -0.84 -0.03 0.00 -0.27 0.00 0.00 62.75 61.46 2k0y n ILE 38 Cb 1.03 -0.14 0.01 0.00 -1.74 0.00 0.00 39.64 38.80 2k0y n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k0y n GLY 39 N 0.68 0.59 2.95 3.28 0.00 -0.94 -4.88 105.19 106.87 2k0y n GLY 39 Ca 0.18 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2k0y n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0y s TYR 40 N -3.05 1.94 0.38 1.61 1.51 0.73 -5.01 117.35 115.46 2k0y s TYR 40 Ca 0.06 -1.18 -0.15 0.00 -1.01 0.00 0.00 57.07 54.80 2k0y s TYR 40 Cb -0.03 -1.44 -0.08 0.00 -0.11 0.00 0.00 41.96 40.29 2k0y s TYR 40 CO 0.12 -0.64 0.80 -0.51 -1.11 0.00 0.00 175.55 174.21 2k0y s ASP 41 N 1.56 6.71 0.52 2.29 1.01 -1.26 -3.14 116.67 124.36 2k0y s ASP 41 Ca 0.02 1.33 0.27 0.00 0.71 0.00 0.00 52.55 54.87 2k0y s ASP 41 Cb -0.14 -2.40 1.40 0.00 1.01 0.00 0.00 42.92 42.79 2k0y s ASP 41 CO -0.09 -0.33 1.95 0.77 0.21 0.00 0.00 175.17 177.69 2k0y h SER 42 N 1.77 0.03 0.40 0.27 4.64 -1.95 0.18 113.55 118.90 2k0y h SER 42 Ca -0.48 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2k0y h SER 42 Cb 1.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2k0y h SER 42 CO 0.64 0.01 -0.19 0.25 -0.87 0.00 0.00 176.83 176.67 2k0y h LEU 43 N 0.03 -0.46 -1.25 5.97 6.46 -1.96 0.26 115.31 124.36 2k0y h LEU 43 Ca 0.32 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 2k0y h LEU 43 Cb 1.23 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.25 2k0y h LEU 43 CO -0.01 -0.22 0.25 0.00 -0.62 0.00 0.00 178.44 177.83 2k0y h ALA 44 N -0.14 1.42 -0.66 1.25 0.00 -1.73 -2.18 119.26 117.22 2k0y h ALA 44 Ca -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2k0y h ALA 44 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2k0y h ALA 44 CO 0.09 0.45 0.18 1.25 0.00 0.00 0.00 179.25 181.23 2k0y h LEU 45 N 0.76 0.98 -1.43 0.00 5.85 -0.40 -2.34 115.31 118.72 2k0y h LEU 45 Ca 0.19 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2k0y h LEU 45 Cb 0.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2k0y h LEU 45 CO -0.02 0.94 -0.14 0.24 -0.34 0.00 0.00 178.44 179.12 2k0y h MET 46 N 0.97 0.20 -0.24 1.25 2.86 0.10 -0.86 114.93 119.22 2k0y h MET 46 Ca 0.21 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2k0y h MET 46 Cb 0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2k0y h MET 46 CO -0.00 0.35 -0.04 1.49 1.06 0.00 0.00 176.91 179.77 2k0y h GLU 47 N 0.19 0.36 0.37 1.72 4.57 -0.92 0.54 114.58 121.41 2k0y h GLU 47 Ca 0.04 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2k0y h GLU 47 Cb 0.37 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2k0y h GLU 47 CO 0.02 0.42 -0.18 1.15 -1.18 0.00 0.00 179.01 179.25 2k0y h THR 48 N 0.35 0.59 -0.99 0.32 2.02 -0.71 0.25 112.91 114.73 2k0y h THR 48 Ca 0.08 -0.52 0.07 0.00 0.77 0.00 0.00 66.41 66.80 2k0y h THR 48 Cb 0.30 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 2k0y h THR 48 CO 0.01 0.09 0.64 0.00 0.37 0.00 0.00 175.52 176.63 2k0y h ALA 49 N -0.35 1.44 -0.46 6.16 0.00 -0.97 -1.22 119.26 123.86 2k0y h ALA 49 Ca -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 49 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2k0y h ALA 49 CO 0.08 0.41 0.25 0.00 0.00 0.00 0.00 179.25 179.99 2k0y h ALA 50 N 1.47 0.58 -0.49 0.00 0.00 0.42 0.40 119.26 121.64 2k0y h ALA 50 Ca 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2k0y h ALA 50 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k0y h ALA 50 CO -0.18 -0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.01 2k0y h ARG 51 N 0.50 0.81 -0.59 0.00 3.08 -0.37 -1.11 114.38 116.71 2k0y h ARG 51 Ca 0.19 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2k0y h ARG 51 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2k0y h ARG 51 CO -0.11 0.80 0.03 -0.07 -1.07 0.00 0.00 179.97 179.55 2k0y h LEU 52 N 0.76 0.96 0.26 3.04 3.38 -0.35 0.12 115.31 123.48 2k0y h LEU 52 Ca 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k0y h LEU 52 Cb 0.43 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2k0y h LEU 52 CO 0.02 1.00 -0.28 -0.33 0.09 0.00 0.00 178.44 178.94 2k0y h GLU 53 N 0.92 -0.56 -0.83 1.13 5.08 0.34 0.80 114.58 121.47 2k0y h GLU 53 Ca 0.17 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2k0y h GLU 53 Cb 0.49 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2k0y h GLU 53 CO 0.02 -0.37 0.42 0.77 -1.00 0.00 0.00 179.01 178.85 2k0y h SER 54 N -0.58 1.06 -0.03 1.42 0.02 -1.07 0.30 113.55 114.68 2k0y h SER 54 Ca -0.01 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2k0y h SER 54 Cb 0.54 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k0y h SER 54 CO -0.07 0.88 0.00 -0.09 -1.14 0.00 0.00 176.83 176.41 2k0y h ARG 55 N 1.16 0.06 0.00 3.45 2.43 -0.54 -3.33 114.38 117.61 2k0y h ARG 55 Ca 0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2k0y h ARG 55 Cb 0.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k0y h ARG 55 CO -0.04 0.35 -1.03 0.66 -1.51 0.00 0.00 179.97 178.39 2k0y n TYR 56 N -4.90 0.02 -2.25 2.20 4.01 0.26 -5.00 117.16 111.50 2k0y n TYR 56 Ca -0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.63 2k0y n TYR 56 Cb 0.18 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 2k0y n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k0y n GLY 57 N 1.47 0.27 2.95 2.72 0.00 0.10 -4.84 105.19 107.87 2k0y n GLY 57 Ca 0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 2k0y n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0y s VAL 58 N -3.10 0.48 -0.35 1.61 0.11 -1.02 -5.06 120.40 113.07 2k0y s VAL 58 Ca 0.04 -0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.71 2k0y s VAL 58 Cb -0.00 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2k0y s VAL 58 CO 0.19 0.15 0.39 -0.44 -3.33 0.00 0.00 175.10 172.07 2k0y s SER 59 N 0.12 6.20 -0.24 3.54 0.01 -1.26 -4.35 113.70 117.72 2k0y s SER 59 Ca -0.01 -0.26 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 2k0y s SER 59 Cb -0.05 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2k0y s SER 59 CO -0.00 -0.39 0.09 -0.63 0.41 0.00 0.00 173.24 172.71 2k0y s ILE 60 N 2.09 4.58 0.16 1.44 1.01 -1.26 -5.08 121.20 124.13 2k0y s ILE 60 Ca 0.13 -0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 2k0y s ILE 60 Cb -0.16 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 2k0y s ILE 60 CO 0.12 0.35 1.41 -2.84 0.00 0.00 0.00 174.94 173.98 2k0y s PRO 61 N 1.36 4.31 0.29 2.79 0.02 -1.26 -4.89 135.00 137.62 2k0y s PRO 61 Ca 0.05 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.27 2k0y s PRO 61 Cb -0.15 -3.20 0.66 0.00 0.02 0.00 0.00 34.50 31.84 2k0y s PRO 61 CO 0.04 -0.42 1.78 -0.44 -0.33 0.00 0.00 177.00 177.63 2k0y h ASP 62 N 6.22 0.77 -0.34 2.53 3.32 -1.98 0.86 116.42 127.79 2k0y h ASP 62 Ca -0.43 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 2k0y h ASP 62 Cb 1.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2k0y h ASP 62 CO 0.84 0.31 -0.18 0.44 -1.72 0.00 0.00 179.24 178.92 2k0y h ASP 63 N 0.78 0.82 -0.03 6.45 3.32 -1.96 -0.91 116.42 124.89 2k0y h ASP 63 Ca 0.54 -0.28 -0.20 0.00 0.02 0.00 0.00 57.03 57.10 2k0y h ASP 63 Cb 0.77 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2k0y h ASP 63 CO -0.36 1.00 -0.78 0.58 -1.72 0.00 0.00 179.24 177.96 2k0y h VAL 64 N 0.72 1.34 -0.30 -1.35 2.07 -1.70 -2.27 116.25 114.77 2k0y h VAL 64 Ca 0.11 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 65.57 2k0y h VAL 64 Cb 0.70 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2k0y h VAL 64 CO 0.05 0.63 0.20 0.00 0.02 0.00 0.00 177.57 178.48 2k0y h ALA 65 N 0.40 1.95 -0.65 1.67 0.00 -0.65 0.17 119.26 122.15 2k0y h ALA 65 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0y h ALA 65 Cb 1.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2k0y h ALA 65 CO 0.16 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2k0y n GLY 66 N -1.52 2.08 0.05 0.00 0.00 -0.37 -4.08 105.19 101.35 2k0y n GLY 66 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.35 2k0y n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k0y n ARG 67 N 1.44 0.69 -2.35 1.61 3.00 0.02 -4.88 116.66 116.20 2k0y n ARG 67 Ca 0.22 -0.12 -0.41 0.00 -0.00 0.00 0.00 57.85 57.54 2k0y n ARG 67 Cb 0.56 -1.51 -0.03 0.00 0.00 0.00 0.00 32.46 31.49 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k0y s VAL 68 N -3.07 3.71 -0.01 5.15 -7.23 -1.05 -4.83 120.40 113.07 2k0y s VAL 68 Ca -0.09 0.57 0.11 0.00 -1.81 0.00 0.00 61.98 60.76 2k0y s VAL 68 Cb 0.10 -4.41 -0.23 0.00 0.56 0.00 0.00 36.38 32.41 2k0y s VAL 68 CO 0.86 -1.20 0.80 -0.78 -0.31 0.00 0.00 175.10 174.47 2k0y h ASP 69 N 11.50 0.02 -4.25 4.85 3.58 -1.93 -3.47 116.42 126.72 2k0y h ASP 69 Ca -0.27 -0.03 -0.63 0.00 0.42 0.00 0.00 57.03 56.52 2k0y h ASP 69 Cb 1.10 -0.01 -0.25 0.00 1.72 0.00 0.00 39.33 41.89 2k0y h ASP 69 CO 1.19 1.03 -0.86 0.42 -2.88 0.00 0.00 179.24 178.14 2k0y s THR 70 N -2.62 1.90 0.28 2.25 -4.23 -1.26 -2.56 115.64 109.40 2k0y s THR 70 Ca -0.04 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 2k0y s THR 70 Cb 0.08 -1.65 0.27 0.00 1.34 0.00 0.00 72.50 72.55 2k0y s THR 70 CO 0.82 0.24 1.80 -0.65 -0.54 0.00 0.00 174.62 176.29 2k0y h PRO 71 N 4.69 0.81 -1.00 3.99 0.11 -1.74 -1.66 132.00 137.20 2k0y h PRO 71 Ca -0.45 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.78 2k0y h PRO 71 Cb 1.16 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.99 2k0y h PRO 71 CO 0.43 0.53 0.62 0.07 -0.21 0.00 0.00 178.00 179.44 2k0y h ARG 72 N 0.83 0.80 0.12 1.05 0.11 -1.91 0.32 114.38 115.71 2k0y h ARG 72 Ca 0.51 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.53 2k0y h ARG 72 Cb 0.64 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2k0y h ARG 72 CO -0.32 0.53 -0.06 0.93 0.10 0.00 0.00 179.97 181.15 2k0y h GLU 73 N 0.83 -0.16 -0.53 0.08 4.39 -1.64 -1.03 114.58 116.51 2k0y h GLU 73 Ca 0.55 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.14 2k0y h GLU 73 Cb 0.78 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 2k0y h GLU 73 CO -0.34 0.07 -0.13 1.25 -1.16 0.00 0.00 179.01 178.71 2k0y h LEU 74 N -0.38 1.02 0.51 1.33 7.12 -1.35 -0.06 115.31 123.50 2k0y h LEU 74 Ca -0.02 -0.35 -0.01 0.00 0.13 0.00 0.00 57.88 57.63 2k0y h LEU 74 Cb 0.31 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 2k0y h LEU 74 CO 0.03 1.14 -0.40 0.25 -0.13 0.00 0.00 178.44 179.34 2k0y h LEU 75 N 0.90 -1.04 -1.22 2.25 5.85 -0.31 -1.03 115.31 120.71 2k0y h LEU 75 Ca 0.14 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2k0y h LEU 75 Cb 0.70 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2k0y h LEU 75 CO 0.05 -0.58 0.55 -0.78 -0.34 0.00 0.00 178.44 177.34 2k0y h ASP 76 N -0.89 0.84 0.29 1.25 3.58 -1.02 0.23 116.42 120.70 2k0y h ASP 76 Ca -0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2k0y h ASP 76 Cb 0.76 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2k0y h ASP 76 CO 0.00 0.55 -0.16 0.25 -2.88 0.00 0.00 179.24 177.01 2k0y h LEU 77 N 0.96 -0.38 -0.55 2.28 5.85 -0.69 0.16 115.31 122.95 2k0y h LEU 77 Ca 0.35 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 2k0y h LEU 77 Cb 0.16 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2k0y h LEU 77 CO -0.12 -0.26 -0.15 0.40 -0.34 0.00 0.00 178.44 177.97 2k0y h ILE 78 N -0.41 0.30 0.02 4.05 2.04 -0.62 -0.22 117.51 122.67 2k0y h ILE 78 Ca -0.03 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 2k0y h ILE 78 Cb 0.33 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2k0y h ILE 78 CO 0.05 0.15 -0.01 0.78 0.00 0.00 0.00 178.15 179.12 2k0y h ASN 79 N 0.00 -0.03 -0.55 1.72 -0.26 -0.08 0.14 115.58 116.52 2k0y h ASN 79 Ca -0.00 -0.23 -0.07 0.00 -0.56 0.00 0.00 56.30 55.44 2k0y h ASN 79 Cb 0.92 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 38.16 2k0y h ASN 79 CO 0.02 0.22 0.10 1.23 -1.06 0.00 0.00 177.43 177.94 2k0y h GLY 80 N -0.27 1.02 1.19 2.83 0.00 -0.47 0.62 103.07 107.98 2k0y h GLY 80 Ca -0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.56 2k0y h GLY 80 CO 0.01 0.60 -0.19 0.00 0.00 0.00 0.00 176.54 176.96 2k0y h ALA 81 N 1.21 0.78 -0.29 3.60 0.00 -0.93 -0.84 119.26 122.79 2k0y h ALA 81 Ca 0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2k0y h ALA 81 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k0y h ALA 81 CO 0.01 0.66 -0.51 -0.07 0.00 0.00 0.00 179.25 179.34 2k0y h LEU 82 N 0.82 0.90 -1.28 0.00 4.07 -0.38 -0.22 115.31 119.22 2k0y h LEU 82 Ca 0.11 -0.46 -0.05 0.00 0.08 0.00 0.00 57.88 57.57 2k0y h LEU 82 Cb 0.74 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 2k0y h LEU 82 CO 0.06 1.24 0.00 0.00 -1.08 0.00 0.00 178.44 178.66 2k0y h ALA 83 N 0.78 1.41 0.00 1.53 0.00 -0.75 -1.69 119.26 120.54 2k0y h ALA 83 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k0y h ALA 83 Cb 1.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k0y h ALA 83 CO 0.11 0.41 -0.01 1.49 0.00 0.00 0.00 179.25 181.25 2k0y h GLU 84 N 0.47 0.00 0.00 0.00 4.57 -0.89 -3.20 114.58 115.53 2k0y h GLU 84 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2k0y h GLU 84 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2k0y h GLU 84 CO 0.01 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 2k0y h ALA 85 N 1.99 1.00 0.00 2.92 0.00 -0.06 -3.50 119.26 121.60 2k0y h ALA 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k0y h ALA 85 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k0y h ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25