#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kay n GLU 2 N 0.00 0.00 -3.99 0.03 4.71 -1.26 -5.19 120.64 114.94 2kay n GLU 2 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2kay n GLU 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 2kay n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kay s THR 3 N 0.96 0.00 0.15 2.62 -4.23 -1.26 -5.07 115.64 108.81 2kay s THR 3 Ca 0.00 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 2kay s THR 3 Cb 0.00 -2.17 -0.11 0.00 1.34 0.00 0.00 72.50 71.55 2kay s THR 3 CO 0.00 -0.01 1.40 1.55 -0.54 0.00 0.00 174.62 177.02 2kay h PRO 4 N 2.25 0.62 -0.03 3.99 0.13 -2.03 -3.37 132.00 133.56 2kay h PRO 4 Ca -0.26 -0.47 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2kay h PRO 4 Cb 1.25 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kay h PRO 4 CO 0.35 1.09 0.01 -0.07 -0.23 0.00 0.00 178.00 179.16 2kay h LEU 5 N 0.44 0.04 -1.17 1.56 3.38 -1.97 -0.13 115.31 117.45 2kay h LEU 5 Ca -0.03 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.92 2kay h LEU 5 Cb 1.30 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 2kay h LEU 5 CO 0.13 0.17 0.59 -0.33 0.09 0.00 0.00 178.44 179.10 2kay h GLU 6 N -0.10 0.81 -0.09 1.13 3.07 -1.99 0.38 114.58 117.79 2kay h GLU 6 Ca 0.01 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 2kay h GLU 6 Cb 0.14 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2kay h GLU 6 CO -0.00 0.54 -0.60 0.87 -1.40 0.00 0.00 179.01 178.42 2kay h LYS 7 N 0.84 0.57 -0.00 2.33 1.57 -1.67 -3.05 116.57 117.15 2kay h LYS 7 Ca 0.46 -0.49 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 2kay h LYS 7 Cb 0.57 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2kay h LYS 7 CO -0.22 1.11 -0.77 0.00 -0.57 0.00 0.00 179.45 179.00 2kay h ALA 8 N 0.46 0.71 -0.30 3.86 0.00 0.92 0.38 119.26 125.29 2kay h ALA 8 Ca -0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 2kay h ALA 8 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kay h ALA 8 CO 0.12 0.92 -0.24 -0.07 0.00 0.00 0.00 179.25 179.98 2kay h LEU 9 N 0.04 0.58 -0.77 0.00 3.38 -0.49 -1.71 115.31 116.34 2kay h LEU 9 Ca -0.02 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2kay h LEU 9 Cb 1.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2kay h LEU 9 CO 0.11 0.82 -0.27 0.74 0.09 0.00 0.00 178.44 179.92 2kay h THR 10 N 0.51 1.28 -0.89 0.22 2.02 -1.34 -0.80 112.91 113.91 2kay h THR 10 Ca 0.07 -1.36 0.07 0.00 0.77 0.00 0.00 66.41 65.97 2kay h THR 10 Cb 0.69 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.36 2kay h THR 10 CO 0.05 0.44 0.55 0.74 0.37 0.00 0.00 175.52 177.67 2kay h THR 11 N 0.55 1.02 -0.43 3.16 2.02 -0.66 0.57 112.91 119.13 2kay h THR 11 Ca 0.07 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2kay h THR 11 Cb 0.75 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2kay h THR 11 CO 0.06 0.18 0.17 -0.03 0.37 0.00 0.00 175.52 176.26 2kay h MET 12 N 0.98 0.65 -0.33 6.66 -1.53 -0.83 -1.95 114.93 118.58 2kay h MET 12 Ca 0.40 -0.12 -0.02 0.00 -3.44 0.00 0.00 59.70 56.52 2kay h MET 12 Cb 0.23 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.16 2kay h MET 12 CO -0.19 0.60 0.11 0.28 0.14 0.00 0.00 176.91 177.85 2kay h VAL 13 N 0.55 1.14 -0.25 -5.77 2.07 -0.63 -0.32 116.25 113.05 2kay h VAL 13 Ca 0.14 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 2kay h VAL 13 Cb 0.20 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kay h VAL 13 CO -0.01 0.17 -0.46 0.74 0.02 0.00 0.00 177.57 178.03 2kay h THR 14 N 0.46 1.30 -0.33 2.57 2.02 -0.61 -1.32 112.91 116.99 2kay h THR 14 Ca 0.11 -1.66 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 2kay h THR 14 Cb 0.12 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2kay h THR 14 CO -0.01 0.53 -0.34 0.71 0.37 0.00 0.00 175.52 176.78 2kay h THR 15 N 0.48 1.28 0.70 3.16 1.35 -1.30 -3.11 112.91 115.48 2kay h THR 15 Ca 0.01 -1.49 -0.03 0.00 -0.55 0.00 0.00 66.41 64.35 2kay h THR 15 Cb 1.06 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2kay h THR 15 CO 0.10 0.49 -0.35 0.15 -0.25 0.00 0.00 175.52 175.66 2kay h PHE 16 N 0.62 -0.92 -0.02 4.73 3.04 -0.65 0.64 116.94 124.38 2kay h PHE 16 Ca 0.06 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2kay h PHE 16 Cb 0.87 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.68 2kay h PHE 16 CO 0.04 -0.56 -0.01 0.45 -2.02 0.00 0.00 178.31 176.22 2kay h HIS 17 N -0.97 -0.01 -0.55 0.41 3.86 -1.41 0.33 115.15 116.82 2kay h HIS 17 Ca -0.09 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2kay h HIS 17 Cb 0.75 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 2kay h HIS 17 CO -0.04 -0.01 0.36 -0.22 0.86 0.00 0.00 177.93 178.89 2kay h LYS 18 N -0.00 0.49 0.00 2.45 3.64 -1.43 -1.55 116.57 120.17 2kay h LYS 18 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kay h LYS 18 Cb 0.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2kay h LYS 18 CO -0.02 0.32 -1.68 0.66 -2.27 0.00 0.00 179.45 176.46 2kay n TYR 19 N -4.47 0.29 0.15 1.91 4.02 0.20 -3.65 117.16 115.61 2kay n TYR 19 Ca 0.07 0.08 0.01 0.00 -0.01 0.00 0.00 57.90 58.05 2kay n TYR 19 Cb 0.24 -0.63 0.24 0.00 -0.02 0.00 0.00 39.34 39.17 2kay n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2kay h SER 20 N 0.00 0.00 0.66 7.72 4.64 0.13 -3.06 113.55 123.65 2kay h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kay h SER 20 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2kay h SER 20 CO 0.00 0.53 -0.24 0.61 -0.87 0.00 0.00 176.83 176.86 2kay n GLY 21 N 0.07 -1.28 0.27 -0.77 0.00 -0.62 -3.83 105.19 99.02 2kay n GLY 21 Ca -0.01 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.91 2kay n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kay h ARG 22 N 0.13 0.00 -2.25 1.61 2.43 -1.60 -3.47 114.38 111.23 2kay h ARG 22 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2kay h ARG 22 Cb 0.48 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.87 2kay h ARG 22 CO 0.00 0.10 0.47 -2.00 -1.51 0.00 0.00 179.97 177.04 2kay s GLU 23 N -4.02 0.83 6.33 0.20 2.12 -1.26 -5.04 118.70 117.86 2kay s GLU 23 Ca -0.02 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2kay s GLU 23 Cb 0.12 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.89 2kay s GLU 23 CO 0.57 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 2kay n GLY 24 N -0.13 3.21 3.77 -1.50 0.00 -1.26 -4.36 105.19 104.92 2kay n GLY 24 Ca -0.10 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2kay n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kay s SER 25 N -4.00 6.48 0.21 1.61 0.01 -1.26 -4.96 113.70 111.79 2kay s SER 25 Ca 0.00 2.93 0.22 0.00 1.31 0.00 0.00 55.95 60.42 2kay s SER 25 Cb 0.00 -2.66 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2kay s SER 25 CO 0.00 -0.77 1.07 0.07 0.41 0.00 0.00 173.24 174.02 2kay h LYS 26 N 3.22 0.00 0.00 12.44 2.10 -1.76 -3.24 116.57 129.34 2kay h LYS 26 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2kay h LYS 26 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2kay h LYS 26 CO 0.65 0.01 -0.12 1.37 -2.00 0.00 0.00 179.45 179.36 2kay h LEU 27 N 0.00 0.00 -8.94 7.07 -0.00 -1.93 -2.57 115.31 108.94 2kay h LEU 27 Ca -0.00 -0.01 -0.54 0.00 -0.00 0.00 0.00 57.88 57.33 2kay h LEU 27 Cb 1.01 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.51 2kay h LEU 27 CO 0.00 0.00 -0.77 0.42 -0.00 0.00 0.00 178.44 178.09 2kay s THR 28 N -3.20 1.99 -0.37 0.15 -4.23 -1.22 -4.88 115.64 103.87 2kay s THR 28 Ca 0.07 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 2kay s THR 28 Cb 0.07 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2kay s THR 28 CO 0.67 -0.37 0.29 -0.76 -0.54 0.00 0.00 174.62 173.91 2kay s LEU 29 N -2.98 4.76 0.72 4.79 1.43 -1.19 -4.57 118.68 121.65 2kay s LEU 29 Ca 0.21 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2kay s LEU 29 Cb -0.05 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 44.04 2kay s LEU 29 CO 0.09 -0.35 1.05 -0.55 0.23 0.00 0.00 176.35 176.82 2kay s SER 30 N 1.71 4.92 0.63 2.29 0.15 -1.26 -1.55 113.70 120.59 2kay s SER 30 Ca 0.07 0.67 0.27 0.00 0.70 0.00 0.00 55.95 57.66 2kay s SER 30 Cb -0.18 -1.34 1.42 0.00 -1.71 0.00 0.00 66.02 64.21 2kay s SER 30 CO 0.11 -1.57 1.82 -0.09 1.20 0.00 0.00 173.24 174.70 2kay h ARG 31 N -0.67 0.00 0.02 5.44 2.43 -2.00 -0.62 114.38 118.97 2kay h ARG 31 Ca -0.45 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.33 2kay h ARG 31 Cb 1.30 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 2kay h ARG 31 CO 0.62 0.00 -2.41 1.63 -1.51 0.00 0.00 179.97 178.30 2kay n LYS 32 N -3.24 0.67 -0.22 0.20 4.01 -1.26 -3.39 118.16 114.92 2kay n LYS 32 Ca 0.04 0.16 0.02 0.00 -0.51 0.00 0.00 58.31 58.02 2kay n LYS 32 Cb 0.60 -1.55 0.12 0.00 -0.51 0.00 0.00 35.03 33.69 2kay n LYS 32 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2kay h GLU 33 N 0.01 0.11 -0.09 1.97 5.08 -1.66 -0.73 114.58 119.27 2kay h GLU 33 Ca -0.56 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.78 2kay h GLU 33 Cb 1.93 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 2kay h GLU 33 CO -0.06 0.07 -0.02 1.25 -1.00 0.00 0.00 179.01 179.25 2kay h LEU 34 N 0.11 0.17 -0.77 1.33 7.12 -1.35 -1.44 115.31 120.47 2kay h LEU 34 Ca 0.35 -0.37 0.14 0.00 0.13 0.00 0.00 57.88 58.13 2kay h LEU 34 Cb 0.59 -0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.58 2kay h LEU 34 CO -0.58 0.50 0.34 0.50 -0.13 0.00 0.00 178.44 179.07 2kay h LYS 35 N -0.16 0.48 -0.33 1.25 3.64 -1.49 -2.31 116.57 117.65 2kay h LYS 35 Ca 0.02 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2kay h LYS 35 Cb 0.42 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2kay h LYS 35 CO 0.01 0.32 -0.14 1.49 -2.27 0.00 0.00 179.45 178.86 2kay h GLU 36 N 0.50 0.68 -0.08 1.90 4.57 -1.08 -3.11 114.58 117.96 2kay h GLU 36 Ca 0.42 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2kay h GLU 36 Cb 0.61 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 2kay h GLU 36 CO -0.38 0.88 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.02 2kay h LEU 37 N 0.45 -0.74 -0.32 1.64 3.38 -0.74 -1.92 115.31 117.06 2kay h LEU 37 Ca 0.08 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2kay h LEU 37 Cb 0.67 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2kay h LEU 37 CO 0.05 -0.30 0.01 0.40 0.09 0.00 0.00 178.44 178.68 2kay h ILE 38 N -0.34 0.78 0.00 1.22 2.04 -1.50 0.15 117.51 119.86 2kay h ILE 38 Ca 0.08 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2kay h ILE 38 Cb 0.46 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2kay h ILE 38 CO -0.27 0.02 -0.18 0.11 0.00 0.00 0.00 178.15 177.83 2kay h LYS 39 N 0.11 0.00 0.02 2.37 1.79 -1.44 -1.99 116.57 117.43 2kay h LYS 39 Ca 0.15 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.42 2kay h LYS 39 Cb 0.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2kay h LYS 39 CO -0.25 0.18 -1.09 0.87 -1.08 0.00 0.00 179.45 178.08 2kay h LYS 40 N 0.00 0.05 0.02 3.15 1.79 -0.62 -3.40 116.57 117.56 2kay h LYS 40 Ca -0.00 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2kay h LYS 40 Cb 0.39 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2kay h LYS 40 CO 0.02 1.04 -0.01 0.93 -1.08 0.00 0.00 179.45 180.35 2kay h GLU 41 N -0.85 -0.03 -2.54 3.15 5.08 -0.73 -3.35 114.58 115.30 2kay h GLU 41 Ca -0.29 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.30 2kay h GLU 41 Cb 1.35 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.40 2kay h GLU 41 CO -0.12 0.61 1.60 1.28 -1.00 0.00 0.00 179.01 181.38 2kay n LEU 42 N -4.79 7.49 0.00 1.33 7.99 -0.75 -4.85 117.00 123.42 2kay n LEU 42 Ca -0.09 -5.13 0.01 0.00 -0.01 0.00 0.00 56.01 50.79 2kay n LEU 42 Cb 0.32 -1.27 0.08 0.00 -0.11 0.00 0.00 43.42 42.44 2kay n LEU 42 CO 0.32 1.97 0.24 0.00 -1.51 0.00 0.00 177.39 178.42 2kay h LEU 44 N 0.00 0.00 0.00 0.00 4.07 -1.92 -3.49 115.31 113.97 2kay h LEU 44 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kay h LEU 44 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2kay h LEU 44 CO 0.00 0.21 0.00 0.61 -1.08 0.00 0.00 178.44 178.18 2kay n GLY 45 N -0.05 1.15 5.06 0.83 0.00 -0.72 -4.99 105.19 106.48 2kay n GLY 45 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2kay n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kay n GLU 46 N 0.00 0.00 -1.40 1.61 4.07 -1.26 -4.92 120.64 118.74 2kay n GLU 46 Ca 0.00 0.00 -0.51 0.00 -0.06 0.00 0.00 57.16 56.59 2kay n GLU 46 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 2kay n GLU 46 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2kay n MET 47 N 0.00 0.56 -2.00 5.31 2.81 -1.26 -4.97 117.12 117.56 2kay n MET 47 Ca 0.00 0.13 -0.35 0.00 -1.81 0.00 0.00 57.70 55.67 2kay n MET 47 Cb 0.00 -2.08 0.03 0.00 -0.71 0.00 0.00 33.22 30.46 2kay n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kay s LYS 48 N 6.80 3.01 0.41 0.03 3.01 -1.26 -4.80 119.74 126.93 2kay s LYS 48 Ca 1.16 1.66 0.08 0.00 -1.01 0.00 0.00 55.97 57.86 2kay s LYS 48 Cb -1.07 -1.95 0.86 0.00 -1.01 0.00 0.00 37.83 34.66 2kay s LYS 48 CO 0.52 -1.14 2.04 1.49 0.51 0.00 0.00 175.35 178.77 2kay h GLU 49 N 0.74 0.48 0.00 1.68 4.57 -2.02 0.14 114.58 120.16 2kay h GLU 49 Ca -0.49 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2kay h GLU 49 Cb 1.27 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2kay h GLU 49 CO 0.55 0.35 -0.35 1.03 -1.18 0.00 0.00 179.01 179.41 2kay h SER 50 N 0.49 0.00 1.51 1.04 0.87 -2.02 -3.31 113.55 112.14 2kay h SER 50 Ca 0.13 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2kay h SER 50 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2kay h SER 50 CO -0.02 0.03 -0.11 -1.28 -0.53 0.00 0.00 176.83 174.93 2kay h SER 51 N 0.00 0.00 -0.95 6.23 0.87 -1.08 -2.43 113.55 116.18 2kay h SER 51 Ca 0.00 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2kay h SER 51 Cb 0.84 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.72 2kay h SER 51 CO 0.00 0.11 0.60 0.40 -0.53 0.00 0.00 176.83 177.40 2kay h ILE 52 N 0.00 0.99 -0.38 2.23 1.08 -1.58 -1.68 117.51 118.17 2kay h ILE 52 Ca -0.00 -0.35 -0.16 0.00 -0.39 0.00 0.00 64.86 63.96 2kay h ILE 52 Cb 0.89 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 2kay h ILE 52 CO 0.01 0.19 -0.38 -0.78 -0.69 0.00 0.00 178.15 176.50 2kay h ASP 53 N 1.01 0.97 0.27 1.72 1.82 -1.59 -1.14 116.42 119.48 2kay h ASP 53 Ca 0.44 -0.44 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 2kay h ASP 53 Cb 0.32 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 2kay h ASP 53 CO -0.22 1.23 -0.61 0.44 -1.61 0.00 0.00 179.24 178.47 2kay h ASP 54 N 0.75 0.38 0.49 2.28 5.19 -1.53 -1.58 116.42 122.39 2kay h ASP 54 Ca 0.06 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 2kay h ASP 54 Cb 0.97 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2kay h ASP 54 CO 0.09 0.90 -0.34 0.25 -3.12 0.00 0.00 179.24 177.02 2kay h LEU 55 N 0.25 -0.86 -0.98 1.55 6.46 -1.07 -2.26 115.31 118.39 2kay h LEU 55 Ca -0.01 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 2kay h LEU 55 Cb 1.13 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 2kay h LEU 55 CO 0.10 -0.51 -0.33 0.00 -0.62 0.00 0.00 178.44 177.08 2kay h MET 56 N -0.80 0.00 0.00 1.25 -0.00 -1.25 -1.40 114.93 112.72 2kay h MET 56 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 2kay h MET 56 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2kay h MET 56 CO 0.03 0.33 -0.11 -0.22 -0.00 0.00 0.00 176.91 176.94 2kay h LYS 57 N 0.00 0.00 0.00 -0.10 3.64 -1.23 -1.86 116.57 117.02 2kay h LYS 57 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2kay h LYS 57 Cb 0.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2kay h LYS 57 CO 0.04 0.11 -0.49 1.03 -2.27 0.00 0.00 179.45 177.88 2kay h SER 58 N 0.00 0.00 0.12 4.20 0.87 -0.64 -3.38 113.55 114.72 2kay h SER 58 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2kay h SER 58 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2kay h SER 58 CO 0.01 0.49 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.68 2kay h LEU 59 N 0.00 -0.14 -7.96 2.23 4.07 -1.15 -3.42 115.31 108.95 2kay h LEU 59 Ca -0.00 -0.42 -0.51 0.00 0.08 0.00 0.00 57.88 57.02 2kay h LEU 59 Cb 1.29 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 43.00 2kay h LEU 59 CO 0.06 0.47 1.60 -0.62 -1.08 0.00 0.00 178.44 178.87 2kay s ASP 60 N -5.59 6.01 0.00 -0.43 2.15 -1.01 -4.62 116.67 113.17 2kay s ASP 60 Ca -0.13 -1.92 0.03 0.00 0.43 0.00 0.00 52.55 50.96 2kay s ASP 60 Cb 0.00 -2.58 0.15 0.00 -0.30 0.00 0.00 42.92 40.19 2kay s ASP 60 CO 0.49 -2.03 1.00 1.17 -0.17 0.00 0.00 175.17 175.62 2kay n LYS 61 N 8.44 0.03 -0.07 4.34 0.00 -1.26 -0.80 118.16 128.84 2kay n LYS 61 Ca 0.45 0.33 -0.03 0.00 0.00 0.00 0.00 58.31 59.06 2kay n LYS 61 Cb 0.47 -1.50 -0.16 0.00 0.00 0.00 0.00 35.03 33.84 2kay n LYS 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kay n ASN 62 N -1.37 0.03 -2.73 3.14 4.13 -1.26 -5.01 115.26 112.19 2kay n ASN 62 Ca 0.01 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.07 2kay n ASN 62 Cb 0.03 1.33 0.01 0.00 -1.54 0.00 0.00 39.78 39.61 2kay n ASN 62 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kay n SER 63 N -2.58 -5.55 0.00 6.41 7.64 0.02 -4.91 113.62 114.65 2kay n SER 63 Ca -0.23 -0.12 0.11 0.00 1.01 0.00 0.00 58.87 59.64 2kay n SER 63 Cb 0.96 -4.57 0.57 0.00 -1.01 0.00 0.00 64.21 60.17 2kay n SER 63 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kay n ASP 64 N -2.21 0.00 0.00 6.43 5.68 -1.26 -4.91 116.55 120.28 2kay n ASP 64 Ca -0.16 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 2kay n ASP 64 Cb 0.64 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2kay n ASP 64 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2kay n GLN 65 N -1.32 0.00 -3.84 0.11 7.27 -1.26 -4.98 117.38 113.36 2kay n GLN 65 Ca 0.10 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.81 2kay n GLN 65 Cb 0.20 -2.51 -0.12 0.00 2.41 0.00 0.00 30.24 30.21 2kay n GLN 65 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2kay s GLU 66 N -0.11 3.65 -0.64 3.69 2.02 -1.26 -4.42 118.70 121.62 2kay s GLU 66 Ca 0.00 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.23 2kay s GLU 66 Cb 0.00 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 31.01 2kay s GLU 66 CO 0.00 -0.13 1.18 0.42 0.02 0.00 0.00 175.26 176.75 2kay s ILE 67 N 1.42 3.98 0.45 -1.63 1.01 -0.60 -4.90 121.20 120.93 2kay s ILE 67 Ca 0.05 0.58 -0.20 0.00 0.00 0.00 0.00 60.65 61.08 2kay s ILE 67 Cb -0.15 -4.77 -0.10 0.00 0.01 0.00 0.00 42.46 37.45 2kay s ILE 67 CO 0.03 -1.50 0.96 -1.81 0.00 0.00 0.00 174.94 172.62 2kay s ASP 68 N 3.26 6.84 0.32 3.58 1.11 -1.26 -3.18 116.67 127.34 2kay s ASP 68 Ca 0.37 1.67 0.04 0.00 0.18 0.00 0.00 52.55 54.81 2kay s ASP 68 Cb -0.09 -2.53 0.63 0.00 1.07 0.00 0.00 42.92 42.00 2kay s ASP 68 CO 0.20 -0.43 1.90 0.15 1.18 0.00 0.00 175.17 178.17 2kay h PHE 69 N 1.67 0.97 -0.02 4.23 3.04 -1.95 0.46 116.94 125.35 2kay h PHE 69 Ca -0.49 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.50 2kay h PHE 69 Cb 1.18 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 2kay h PHE 69 CO 0.62 0.45 0.05 1.57 -2.02 0.00 0.00 178.31 178.98 2kay h LYS 70 N 0.90 0.00 0.02 1.11 2.10 -2.02 -2.91 116.57 115.77 2kay h LYS 70 Ca 0.41 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.70 2kay h LYS 70 Cb 0.38 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.66 2kay h LYS 70 CO -0.17 0.00 -1.98 0.39 -2.00 0.00 0.00 179.45 175.69 2kay n GLU 71 N -3.38 0.61 0.03 0.07 1.02 -0.00 -4.69 120.64 114.30 2kay n GLU 71 Ca -0.02 0.37 0.22 0.00 -0.02 0.00 0.00 57.16 57.71 2kay n GLU 71 Cb 0.12 -1.62 0.71 0.00 -0.02 0.00 0.00 31.44 30.63 2kay n GLU 71 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2kay h TYR 72 N -0.73 0.00 0.00 -0.32 3.20 -0.92 -0.78 116.97 117.41 2kay h TYR 72 Ca -0.52 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.35 2kay h TYR 72 Cb 1.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.86 2kay h TYR 72 CO 0.02 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.20 2kay h SER 73 N 0.00 0.00 0.31 -2.11 4.64 -1.83 -1.31 113.55 113.25 2kay h SER 73 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 2kay h SER 73 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2kay h SER 73 CO -0.00 0.00 -0.08 -0.37 -0.87 0.00 0.00 176.83 175.50 2kay h VAL 74 N 0.00 0.48 0.74 0.95 -1.51 -1.48 -1.27 116.25 114.16 2kay h VAL 74 Ca 0.00 -0.40 -0.04 0.00 -1.23 0.00 0.00 66.70 65.03 2kay h VAL 74 Cb 0.20 1.27 0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2kay h VAL 74 CO 0.00 0.08 -0.35 0.15 -1.23 0.00 0.00 177.57 176.22 2kay h PHE 75 N 0.00 -0.92 -0.92 5.19 3.57 -1.46 0.10 116.94 122.50 2kay h PHE 75 Ca -0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2kay h PHE 75 Cb 0.26 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 2kay h PHE 75 CO 0.00 -0.57 0.57 -0.07 -2.23 0.00 0.00 178.31 176.01 2kay h LEU 76 N -0.99 0.85 0.09 0.59 4.07 -1.65 -2.72 115.31 115.54 2kay h LEU 76 Ca -0.10 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 2kay h LEU 76 Cb 0.76 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2kay h LEU 76 CO 0.17 0.49 -0.04 0.74 -1.08 0.00 0.00 178.44 178.71 2kay h THR 77 N 0.95 0.95 -0.64 0.22 2.02 -0.99 0.11 112.91 115.54 2kay h THR 77 Ca 0.44 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 67.60 2kay h THR 77 Cb 0.35 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 2kay h THR 77 CO -0.23 0.03 0.20 0.24 0.37 0.00 0.00 175.52 176.13 2kay h MET 78 N -0.17 0.34 -0.03 6.66 2.86 -0.69 -0.21 114.93 123.68 2kay h MET 78 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2kay h MET 78 Cb 0.14 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2kay h MET 78 CO 0.02 0.22 -0.03 -0.07 1.06 0.00 0.00 176.91 178.12 2kay h LEU 79 N 0.35 0.08 -1.45 1.22 3.38 -1.22 -2.18 115.31 115.50 2kay h LEU 79 Ca 0.33 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2kay h LEU 79 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2kay h LEU 79 CO -0.37 0.54 -0.26 0.00 0.09 0.00 0.00 178.44 178.44 2kay h MET 81 N 0.02 0.65 -0.41 0.00 2.86 -0.98 -2.07 114.93 115.00 2kay h MET 81 Ca 0.00 -0.36 -0.10 0.00 -2.06 0.00 0.00 59.70 57.18 2kay h MET 81 Cb 0.48 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2kay h MET 81 CO 0.03 0.97 -0.13 0.00 1.06 0.00 0.00 176.91 178.85 2kay h ALA 82 N 0.97 0.99 0.00 6.32 0.00 -0.82 -2.67 119.26 124.05 2kay h ALA 82 Ca 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2kay h ALA 82 Cb 0.99 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kay h ALA 82 CO 0.09 0.60 -0.14 1.88 0.00 0.00 0.00 179.25 181.68 2kay h TYR 83 N 0.68 0.00 -0.08 0.00 -1.99 -1.02 -2.60 116.97 111.97 2kay h TYR 83 Ca 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 2kay h TYR 83 Cb 0.61 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.34 2kay h TYR 83 CO 0.03 0.14 -0.03 -0.97 -0.00 0.00 0.00 178.16 177.33 2kay h ASN 84 N 0.00 0.16 -0.59 3.88 -0.73 -1.02 -2.96 115.58 114.31 2kay h ASN 84 Ca -0.00 -0.40 -0.02 0.00 1.87 0.00 0.00 56.30 57.75 2kay h ASN 84 Cb 0.52 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 2kay h ASN 84 CO 0.02 0.52 0.28 -0.78 -0.37 0.00 0.00 177.43 177.09 2kay h ASP 85 N -0.21 0.77 -0.66 1.15 3.58 -1.45 -2.67 116.42 116.95 2kay h ASP 85 Ca 0.02 -0.14 0.12 0.00 0.42 0.00 0.00 57.03 57.45 2kay h ASP 85 Cb 0.46 -0.20 -0.08 0.00 1.72 0.00 0.00 39.33 41.22 2kay h ASP 85 CO 0.01 0.69 0.23 0.15 -2.88 0.00 0.00 179.24 177.44 2kay h PHE 86 N 0.80 0.38 0.00 0.28 3.04 -1.54 -1.24 116.94 118.66 2kay h PHE 86 Ca 0.20 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.13 2kay h PHE 86 Cb 0.13 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2kay h PHE 86 CO 0.00 0.05 -0.26 0.35 -2.02 0.00 0.00 178.31 176.43 2kay h PHE 87 N 0.38 0.00 0.00 0.41 3.04 -1.30 -2.54 116.94 116.93 2kay h PHE 87 Ca 0.35 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.30 2kay h PHE 87 Cb 0.49 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.00 2kay h PHE 87 CO -0.19 0.26 0.00 -0.07 -2.02 0.00 0.00 178.31 176.29 2kay h LEU 88 N 0.00 0.00 -2.00 0.59 3.38 -1.02 -2.93 115.31 113.34 2kay h LEU 88 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kay h LEU 88 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kay h LEU 88 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 2kay n GLU 89 N -2.72 2.20 -0.10 1.13 -0.58 -0.98 -4.36 120.64 115.22 2kay n GLU 89 Ca 0.04 -1.94 -0.15 0.00 -0.42 0.00 0.00 57.16 54.69 2kay n GLU 89 Cb 0.44 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 2kay n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kay n ASP 90 N 1.30 1.92 -0.50 1.62 2.03 -1.05 -4.71 116.55 117.16 2kay n ASP 90 Ca 0.15 0.38 0.01 0.00 0.52 0.00 0.00 54.79 55.85 2kay n ASP 90 Cb 0.57 -0.80 0.04 0.00 -0.72 0.00 0.00 41.12 40.20 2kay n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kay n ASN 91 N -4.42 1.17 -0.66 1.67 5.03 -1.11 -5.13 115.26 111.81 2kay n ASN 91 Ca -0.25 -2.06 0.13 0.00 0.87 0.00 0.00 54.58 53.26 2kay n ASN 91 Cb 0.59 -0.40 0.36 0.00 -1.02 0.00 0.00 39.78 39.32 2kay n ASN 91 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72