#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kay s GLU 2 N 0.00 0.54 0.94 0.03 8.01 -1.26 -5.18 118.70 121.78 2kay s GLU 2 Ca 0.00 0.88 -0.12 0.00 0.01 0.00 0.00 54.97 55.74 2kay s GLU 2 Cb 0.00 0.11 0.16 0.00 -4.31 0.00 0.00 34.13 30.09 2kay s GLU 2 CO 0.00 -0.13 1.10 0.95 0.01 0.00 0.00 175.26 177.19 2kay s THR 3 N 1.12 2.29 0.59 3.63 -4.23 -1.26 -4.84 115.64 112.94 2kay s THR 3 Ca -0.07 0.09 0.41 0.00 -1.18 0.00 0.00 61.69 60.95 2kay s THR 3 Cb -0.06 -2.65 0.43 0.00 1.34 0.00 0.00 72.50 71.56 2kay s THR 3 CO -0.11 -0.12 2.31 1.55 -0.54 0.00 0.00 174.62 177.71 2kay h PRO 4 N -1.68 0.00 0.06 3.99 0.13 -2.02 -1.46 132.00 131.01 2kay h PRO 4 Ca -0.52 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.37 2kay h PRO 4 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 2kay h PRO 4 CO 0.58 0.01 -0.98 1.25 -0.23 0.00 0.00 178.00 178.62 2kay h LEU 5 N 0.00 0.76 -1.32 1.56 7.12 -1.98 -0.41 115.31 121.05 2kay h LEU 5 Ca -0.00 -0.80 -0.01 0.00 0.13 0.00 0.00 57.88 57.20 2kay h LEU 5 Cb 0.07 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 39.93 2kay h LEU 5 CO 0.00 1.47 0.31 -0.33 -0.13 0.00 0.00 178.44 179.77 2kay h GLU 6 N 0.14 0.78 -0.10 1.25 5.08 -1.83 0.49 114.58 120.40 2kay h GLU 6 Ca -0.14 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 2kay h GLU 6 Cb 1.67 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2kay h GLU 6 CO 0.19 0.57 -0.47 0.87 -1.00 0.00 0.00 179.01 179.17 2kay h LYS 7 N 0.79 0.25 0.25 2.33 1.57 -1.25 0.77 116.57 121.27 2kay h LYS 7 Ca 0.20 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2kay h LYS 7 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2kay h LYS 7 CO -0.03 0.67 -0.12 0.00 -0.57 0.00 0.00 179.45 179.40 2kay h ALA 8 N 1.31 -0.33 -0.76 3.86 0.00 -0.21 -0.59 119.26 122.53 2kay h ALA 8 Ca 0.01 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 2kay h ALA 8 Cb 0.91 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2kay h ALA 8 CO 0.07 -0.59 0.42 -0.07 0.00 0.00 0.00 179.25 179.08 2kay h LEU 9 N -0.54 0.59 -0.92 0.00 3.38 -0.89 -0.87 115.31 116.06 2kay h LEU 9 Ca -0.03 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2kay h LEU 9 Cb 0.40 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2kay h LEU 9 CO 0.06 0.34 0.60 0.74 0.09 0.00 0.00 178.44 180.27 2kay h THR 10 N 0.71 1.18 -0.59 0.22 2.02 -0.78 0.06 112.91 115.74 2kay h THR 10 Ca 0.36 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 2kay h THR 10 Cb 0.33 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 2kay h THR 10 CO -0.24 0.22 -0.01 0.74 0.37 0.00 0.00 175.52 176.60 2kay h THR 11 N 1.19 1.26 -0.71 3.16 2.02 0.11 0.15 112.91 120.09 2kay h THR 11 Ca 0.36 -1.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 2kay h THR 11 Cb -0.05 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2kay h THR 11 CO -0.10 0.41 0.21 0.24 0.37 0.00 0.00 175.52 176.65 2kay h MET 12 N 0.94 1.12 -0.21 6.66 2.07 -0.79 -0.57 114.93 124.15 2kay h MET 12 Ca 0.17 -0.25 -0.06 0.00 -2.07 0.00 0.00 59.70 57.48 2kay h MET 12 Cb 0.56 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.12 2kay h MET 12 CO 0.03 0.97 -0.15 0.28 1.07 0.00 0.00 176.91 179.10 2kay h VAL 13 N 1.06 1.22 0.37 -2.22 2.07 -0.77 -2.38 116.25 115.60 2kay h VAL 13 Ca 0.23 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2kay h VAL 13 Cb 0.32 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2kay h VAL 13 CO -0.00 0.31 -0.18 0.74 0.02 0.00 0.00 177.57 178.45 2kay h THR 14 N 0.33 0.26 -0.10 2.57 2.02 0.35 0.05 112.91 118.39 2kay h THR 14 Ca 0.06 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 2kay h THR 14 Cb 0.47 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2kay h THR 14 CO 0.03 0.06 -0.20 0.71 0.37 0.00 0.00 175.52 176.49 2kay h THR 15 N -1.06 1.20 0.35 3.16 1.35 -1.27 -0.85 112.91 115.80 2kay h THR 15 Ca -0.05 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 2kay h THR 15 Cb 0.48 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2kay h THR 15 CO 0.08 0.27 -0.17 0.15 -0.25 0.00 0.00 175.52 175.61 2kay h PHE 16 N 0.16 -0.44 -0.97 4.73 3.57 -1.43 -2.05 116.94 120.51 2kay h PHE 16 Ca 0.03 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kay h PHE 16 Cb 0.45 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 2kay h PHE 16 CO 0.00 -0.27 0.64 1.25 -2.23 0.00 0.00 178.31 177.71 2kay h HIS 17 N -0.67 1.21 0.15 0.41 2.76 -0.98 0.34 115.15 118.37 2kay h HIS 17 Ca -0.05 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2kay h HIS 17 Cb 0.36 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 28.92 2kay h HIS 17 CO 0.07 0.74 -0.07 -0.22 -1.30 0.00 0.00 177.93 177.14 2kay h LYS 18 N 1.28 -0.19 0.00 5.26 3.64 -1.24 -2.16 116.57 123.15 2kay h LYS 18 Ca 0.37 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2kay h LYS 18 Cb -0.09 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kay h LYS 18 CO -0.09 -0.12 -0.40 1.88 -2.27 0.00 0.00 179.45 178.45 2kay h TYR 19 N -0.20 0.00 0.00 1.91 -1.99 -1.06 -3.09 116.97 112.53 2kay h TYR 19 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2kay h TYR 19 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 2kay h TYR 19 CO -0.07 0.40 0.00 1.03 -0.00 0.00 0.00 178.16 179.52 2kay h SER 20 N 0.00 0.00 -0.07 3.88 0.87 -0.23 -1.71 113.55 116.28 2kay h SER 20 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kay h SER 20 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2kay h SER 20 CO 0.05 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.96 2kay n GLY 21 N -0.14 -0.19 0.19 5.77 0.00 -0.82 -3.66 105.19 106.33 2kay n GLY 21 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.73 2kay n GLY 21 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kay h ARG 22 N 1.58 0.00 -2.57 1.61 3.08 -1.42 -3.49 114.38 113.18 2kay h ARG 22 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 2kay h ARG 22 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2kay h ARG 22 CO 0.00 0.37 0.54 -2.00 -1.07 0.00 0.00 179.97 177.81 2kay s GLU 23 N -3.60 1.40 5.07 0.04 2.12 -1.26 -5.02 118.70 117.45 2kay s GLU 23 Ca 0.00 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2kay s GLU 23 Cb 0.11 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.90 2kay s GLU 23 CO 0.69 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2kay n GLY 24 N -0.66 2.55 3.81 -1.50 0.00 -1.26 -4.38 105.19 103.75 2kay n GLY 24 Ca -0.04 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 2kay n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kay s SER 25 N -4.00 5.48 0.15 1.61 0.15 -1.26 -4.98 113.70 110.85 2kay s SER 25 Ca 0.00 1.74 0.21 0.00 0.70 0.00 0.00 55.95 58.60 2kay s SER 25 Cb 0.00 -2.52 0.86 0.00 -1.71 0.00 0.00 66.02 62.65 2kay s SER 25 CO 0.00 -1.37 1.65 1.17 1.20 0.00 0.00 173.24 175.88 2kay n LYS 26 N -2.63 0.12 -0.00 5.44 4.81 -1.24 -2.83 118.16 121.83 2kay n LYS 26 Ca 0.08 0.32 0.09 0.00 -0.87 0.00 0.00 58.31 57.94 2kay n LYS 26 Cb 0.53 -1.72 -0.12 0.00 0.02 0.00 0.00 35.03 33.74 2kay n LYS 26 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kay n LEU 27 N -1.95 0.78 -4.59 3.14 4.77 -1.26 -4.10 117.00 113.79 2kay n LEU 27 Ca 0.03 -0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 55.27 2kay n LEU 27 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2kay n LEU 27 CO 0.19 0.20 -0.39 0.42 -1.33 0.00 0.00 177.39 176.48 2kay s THR 28 N -2.93 3.63 -0.51 -5.08 -4.23 -1.13 -4.23 115.64 101.16 2kay s THR 28 Ca 0.05 -0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 59.59 2kay s THR 28 Cb 0.14 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.47 2kay s THR 28 CO 0.81 0.39 0.60 -0.76 -0.54 0.00 0.00 174.62 175.12 2kay s LEU 29 N -1.42 5.10 0.98 4.79 1.43 -0.42 -4.51 118.68 124.64 2kay s LEU 29 Ca 0.17 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 2kay s LEU 29 Cb -0.11 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.85 2kay s LEU 29 CO 0.07 -0.88 0.84 -1.54 0.23 0.00 0.00 176.35 175.08 2kay n SER 30 N 6.05 -0.84 0.04 2.29 3.41 -1.26 -0.48 113.62 122.82 2kay n SER 30 Ca -0.08 0.27 0.22 0.00 -0.26 0.00 0.00 58.87 59.02 2kay n SER 30 Cb 0.45 -1.33 0.69 0.00 -0.26 0.00 0.00 64.21 63.76 2kay n SER 30 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2kay h ARG 31 N -1.95 0.00 0.12 4.33 2.43 -1.23 0.26 114.38 118.34 2kay h ARG 31 Ca -0.47 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.55 2kay h ARG 31 Cb 1.29 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.86 2kay h ARG 31 CO 0.40 0.00 -0.68 0.87 -1.51 0.00 0.00 179.97 179.06 2kay h LYS 32 N 0.00 0.25 -0.71 0.20 6.56 -1.89 -2.57 116.57 118.41 2kay h LYS 32 Ca 0.24 -0.43 -0.03 0.00 -1.06 0.00 0.00 60.65 59.38 2kay h LYS 32 Cb 1.41 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 33.20 2kay h LYS 32 CO -0.00 1.20 0.34 0.93 -2.06 0.00 0.00 179.45 179.86 2kay h GLU 33 N -0.47 1.03 -0.21 3.15 5.08 -1.20 0.54 114.58 122.51 2kay h GLU 33 Ca -0.12 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2kay h GLU 33 Cb 1.53 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2kay h GLU 33 CO 0.13 0.82 0.00 1.25 -1.00 0.00 0.00 179.01 180.20 2kay h LEU 34 N 1.00 0.36 -0.35 1.33 5.85 -0.75 -0.27 115.31 122.48 2kay h LEU 34 Ca 0.24 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2kay h LEU 34 Cb 0.13 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2kay h LEU 34 CO -0.03 0.58 0.18 0.50 -0.34 0.00 0.00 178.44 179.33 2kay h LYS 35 N 0.13 0.49 -0.49 1.25 3.64 -1.26 0.50 116.57 120.82 2kay h LYS 35 Ca 0.06 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2kay h LYS 35 Cb 0.39 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 2kay h LYS 35 CO 0.01 0.41 -0.56 1.49 -2.27 0.00 0.00 179.45 178.54 2kay h GLU 36 N 0.43 -0.33 0.42 1.90 4.57 -0.86 -1.67 114.58 119.04 2kay h GLU 36 Ca 0.12 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2kay h GLU 36 Cb 0.08 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2kay h GLU 36 CO -0.02 -0.22 -0.20 1.25 -1.18 0.00 0.00 179.01 178.64 2kay h LEU 37 N -0.34 -0.48 -0.79 1.64 6.46 -0.55 -2.97 115.31 118.28 2kay h LEU 37 Ca 0.09 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 2kay h LEU 37 Cb 0.57 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 2kay h LEU 37 CO -0.65 -0.34 0.46 0.40 -0.62 0.00 0.00 178.44 177.69 2kay h ILE 38 N -0.57 0.97 0.00 4.05 2.04 -0.90 0.21 117.51 123.32 2kay h ILE 38 Ca -0.06 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2kay h ILE 38 Cb 0.43 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2kay h ILE 38 CO 0.10 0.15 0.00 0.29 0.00 0.00 0.00 178.15 178.68 2kay n LYS 39 N -4.72 0.16 -0.11 2.37 4.76 -0.63 -1.92 118.16 118.07 2kay n LYS 39 Ca 0.12 0.52 -0.15 0.00 -2.87 0.00 0.00 58.31 55.93 2kay n LYS 39 Cb 0.22 -1.89 -0.11 0.00 -1.84 0.00 0.00 35.03 31.40 2kay n LYS 39 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kay n LYS 40 N -2.20 0.66 0.05 1.97 4.76 -0.19 -4.81 118.16 118.40 2kay n LYS 40 Ca 0.00 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.45 2kay n LYS 40 Cb 0.13 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 31.72 2kay n LYS 40 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2kay h GLU 41 N 0.00 0.08 -3.99 1.97 4.81 -0.39 -3.41 114.58 113.65 2kay h GLU 41 Ca -0.51 -0.13 -0.67 0.00 -0.13 0.00 0.00 59.36 57.92 2kay h GLU 41 Cb 1.85 0.05 -0.38 0.00 0.63 0.00 0.00 28.75 30.90 2kay h GLU 41 CO -0.06 0.94 -0.59 -0.51 -0.73 0.00 0.00 179.01 178.06 2kay s LEU 42 N -6.68 4.79 0.00 1.64 2.01 -0.81 -5.00 118.68 114.64 2kay s LEU 42 Ca -0.03 -2.57 0.29 0.00 0.01 0.00 0.00 54.13 51.83 2kay s LEU 42 Cb 0.09 -1.71 1.42 0.00 0.01 0.00 0.00 46.19 46.00 2kay s LEU 42 CO 0.83 -0.35 1.99 0.00 1.01 0.00 0.00 176.35 179.83 2kay n LEU 44 N -1.31 2.59 0.00 0.00 -0.00 -1.26 -4.83 117.00 112.18 2kay n LEU 44 Ca 0.13 -1.23 0.00 0.00 -0.00 0.00 0.00 56.01 54.91 2kay n LEU 44 Cb 0.24 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 2kay n LEU 44 CO 0.23 0.46 0.00 0.61 -0.00 0.00 0.00 177.39 178.69 2kay n GLY 45 N 1.04 1.19 0.38 1.47 0.00 -1.26 -4.55 105.19 103.47 2kay n GLY 45 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2kay n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kay n GLU 46 N 0.00 1.49 -1.11 1.61 -0.58 -1.26 -4.41 120.64 116.38 2kay n GLU 46 Ca 0.00 -0.75 -0.36 0.00 -0.42 0.00 0.00 57.16 55.63 2kay n GLU 46 Cb 0.00 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 2kay n GLU 46 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2kay n MET 47 N 0.04 2.02 -3.52 3.49 2.81 -1.26 -4.76 117.12 115.94 2kay n MET 47 Ca 0.11 -1.85 -0.19 0.00 -1.81 0.00 0.00 57.70 53.96 2kay n MET 47 Cb 0.21 -2.81 -0.01 0.00 -0.71 0.00 0.00 33.22 29.90 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 4.06 3.01 0.13 0.03 1.02 -1.26 -4.89 119.74 121.84 2kay s LYS 48 Ca 0.51 -1.09 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 2kay s LYS 48 Cb 0.13 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2kay s LYS 48 CO 0.03 0.05 1.69 0.93 -0.92 0.00 0.00 175.35 177.13 2kay h GLU 49 N 0.95 0.55 0.00 1.68 4.39 -1.99 -1.07 114.58 119.10 2kay h GLU 49 Ca -0.45 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.03 2kay h GLU 49 Cb 1.26 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2kay h GLU 49 CO 0.53 0.51 -0.60 1.03 -1.16 0.00 0.00 179.01 179.33 2kay h SER 50 N 0.47 0.00 -0.89 1.42 0.87 -1.97 -1.22 113.55 112.22 2kay h SER 50 Ca 0.13 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2kay h SER 50 Cb 0.15 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 2kay h SER 50 CO -0.01 0.60 0.59 0.28 -0.53 0.00 0.00 176.83 177.75 2kay h SER 51 N 0.00 0.96 0.29 6.23 0.02 -1.61 -2.06 113.55 117.38 2kay h SER 51 Ca -0.01 -0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 2kay h SER 51 Cb 1.15 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 63.50 2kay h SER 51 CO 0.08 0.66 -1.55 0.40 -1.14 0.00 0.00 176.83 175.28 2kay h ILE 52 N 1.12 1.19 0.00 3.27 2.04 -1.08 -2.35 117.51 121.69 2kay h ILE 52 Ca 0.35 -2.69 -0.12 0.00 1.00 0.00 0.00 64.86 63.41 2kay h ILE 52 Cb 0.02 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2kay h ILE 52 CO -0.11 0.83 -0.57 0.44 0.00 0.00 0.00 178.15 178.74 2kay h ASP 53 N 0.13 0.00 0.27 1.72 3.32 -1.23 0.10 116.42 120.73 2kay h ASP 53 Ca -0.27 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.48 2kay h ASP 53 Cb 2.13 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.70 2kay h ASP 53 CO 0.24 0.57 -1.28 -0.78 -1.72 0.00 0.00 179.24 176.27 2kay h ASP 54 N 0.00 0.77 0.06 6.45 1.82 -1.51 -2.71 116.42 121.30 2kay h ASP 54 Ca -0.01 -0.75 0.02 0.00 -0.39 0.00 0.00 57.03 55.91 2kay h ASP 54 Cb 1.28 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 41.01 2kay h ASP 54 CO 0.07 1.56 -0.25 0.25 -1.61 0.00 0.00 179.24 179.27 2kay h LEU 55 N 0.20 -0.71 -0.59 2.28 5.85 -1.39 -2.66 115.31 118.29 2kay h LEU 55 Ca -0.19 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.74 2kay h LEU 55 Cb 1.97 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 43.17 2kay h LEU 55 CO 0.24 -0.32 -0.10 -0.03 -0.34 0.00 0.00 178.44 177.88 2kay h MET 56 N -0.42 0.03 -0.14 1.25 4.05 -0.87 0.11 114.93 118.95 2kay h MET 56 Ca 0.04 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.50 2kay h MET 56 Cb 0.47 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2kay h MET 56 CO -0.18 0.02 0.15 -0.22 0.23 0.00 0.00 176.91 176.91 2kay h LYS 57 N 0.03 0.00 0.00 0.39 3.11 -1.25 -0.74 116.57 118.12 2kay h LYS 57 Ca 0.29 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.93 2kay h LYS 57 Cb 0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.65 2kay h LYS 57 CO -0.58 0.00 -1.93 0.45 -2.81 0.00 0.00 179.45 174.58 2kay n SER 58 N -3.83 0.32 -0.03 4.20 2.88 0.04 -4.34 113.62 112.88 2kay n SER 58 Ca 0.00 0.14 -0.17 0.00 -1.33 0.00 0.00 58.87 57.52 2kay n SER 58 Cb 0.26 0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 64.58 2kay n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kay h LEU 59 N 0.00 0.77-10.08 2.46 3.38 -0.35 -3.45 115.31 108.04 2kay h LEU 59 Ca -0.26 -0.63 -0.50 0.00 0.09 0.00 0.00 57.88 56.57 2kay h LEU 59 Cb 1.68 -0.23 0.08 0.00 0.09 0.00 0.00 40.66 42.28 2kay h LEU 59 CO 0.03 1.28 0.44 -0.62 0.09 0.00 0.00 178.44 179.66 2kay s ASP 60 N -6.87 5.71 -0.00 -0.43 2.15 -0.33 -4.61 116.67 112.28 2kay s ASP 60 Ca -0.12 2.21 0.19 0.00 0.43 0.00 0.00 52.55 55.26 2kay s ASP 60 Cb 0.07 -2.58 -0.21 0.00 -0.30 0.00 0.00 42.92 39.90 2kay s ASP 60 CO 0.86 -1.23 0.80 0.29 -0.17 0.00 0.00 175.17 175.72 2kay n LYS 61 N -1.27 0.77 0.00 4.34 4.01 -1.26 -4.77 118.16 119.97 2kay n LYS 61 Ca 0.11 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2kay n LYS 61 Cb 0.51 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.63 2kay n LYS 61 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2kay n ASN 62 N -1.46 0.00 -0.02 4.39 6.94 -1.26 -5.05 115.26 118.80 2kay n ASN 62 Ca 0.03 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.59 2kay n ASN 62 Cb 0.30 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.72 2kay n ASN 62 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2kay n SER 63 N 0.00 -3.04 0.27 0.53 2.88 -1.26 -4.95 113.62 108.04 2kay n SER 63 Ca 0.00 0.01 0.13 0.00 -1.33 0.00 0.00 58.87 57.68 2kay n SER 63 Cb 0.00 -0.57 0.74 0.00 -0.75 0.00 0.00 64.21 63.63 2kay n SER 63 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2kay h ASP 64 N 0.00 0.00 -1.17 -3.46 3.04 -1.98 -3.46 116.42 109.39 2kay h ASP 64 Ca -0.01 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 2kay h ASP 64 Cb 0.02 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 38.20 2kay h ASP 64 CO 0.01 0.11 -0.34 0.00 -2.04 0.00 0.00 179.24 176.98 2kay n GLN 65 N -3.58 -1.22 -4.13 4.15 6.02 -1.26 -5.02 117.38 112.34 2kay n GLN 65 Ca -0.02 1.04 -0.34 0.00 -0.01 0.00 0.00 57.00 57.67 2kay n GLN 65 Cb 0.24 -5.31 -0.15 0.00 1.02 0.00 0.00 30.24 26.04 2kay n GLN 65 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2kay s GLU 66 N -3.75 3.21 -0.52 -1.09 0.41 -1.26 -0.56 118.70 115.13 2kay s GLU 66 Ca 0.00 -0.72 -0.20 0.00 -0.41 0.00 0.00 54.97 53.64 2kay s GLU 66 Cb 0.00 -2.76 0.06 0.00 -1.78 0.00 0.00 34.13 29.64 2kay s GLU 66 CO 0.00 -0.15 0.68 0.42 -0.49 0.00 0.00 175.26 175.72 2kay s ILE 67 N 1.25 4.79 0.72 -1.63 -1.09 0.36 -4.90 121.20 120.71 2kay s ILE 67 Ca 0.03 -0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 57.91 2kay s ILE 67 Cb -0.14 -4.35 0.03 0.00 -1.58 0.00 0.00 42.46 36.42 2kay s ILE 67 CO -0.06 -0.89 1.09 -0.62 -1.23 0.00 0.00 174.94 173.24 2kay s ASP 68 N 2.80 4.80 0.43 3.58 -1.08 -1.26 -1.30 116.67 124.64 2kay s ASP 68 Ca 0.17 1.87 0.15 0.00 -0.52 0.00 0.00 52.55 54.23 2kay s ASP 68 Cb -0.19 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.80 2kay s ASP 68 CO 0.12 -1.84 1.94 0.15 0.52 0.00 0.00 175.17 176.06 2kay h PHE 69 N -0.66 0.46 0.00 -5.34 3.04 -1.98 0.11 116.94 112.57 2kay h PHE 69 Ca -0.45 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.37 2kay h PHE 69 Cb 1.23 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.58 2kay h PHE 69 CO 0.57 0.19 -0.69 0.87 -2.02 0.00 0.00 178.31 177.23 2kay h LYS 70 N 0.41 0.00 0.23 1.11 1.57 -1.97 -0.55 116.57 117.38 2kay h LYS 70 Ca 0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2kay h LYS 70 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2kay h LYS 70 CO -0.11 0.69 -0.11 0.93 -0.57 0.00 0.00 179.45 180.28 2kay h GLU 71 N 0.00 -0.30 -0.52 3.15 5.08 -1.36 -3.27 114.58 117.36 2kay h GLU 71 Ca -0.01 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2kay h GLU 71 Cb 1.47 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.77 2kay h GLU 71 CO 0.09 -0.03 0.36 -0.92 -1.00 0.00 0.00 179.01 177.51 2kay h TYR 72 N -0.56 0.16 -0.02 4.33 3.20 -0.74 0.51 116.97 123.86 2kay h TYR 72 Ca -0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2kay h TYR 72 Cb 0.41 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2kay h TYR 72 CO 0.00 0.07 0.03 0.77 -1.64 0.00 0.00 178.16 177.39 2kay h SER 73 N 0.15 0.00 -0.67 -2.11 0.02 -1.15 -1.30 113.55 108.50 2kay h SER 73 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2kay h SER 73 Cb 0.78 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 2kay h SER 73 CO -0.03 0.00 0.22 0.58 -1.14 0.00 0.00 176.83 176.46 2kay h VAL 74 N 0.00 1.25 0.17 2.27 2.07 -1.02 -0.68 116.25 120.31 2kay h VAL 74 Ca 0.01 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2kay h VAL 74 Cb 0.06 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2kay h VAL 74 CO -0.00 0.32 -0.08 0.15 0.02 0.00 0.00 177.57 177.98 2kay h PHE 75 N 0.96 -0.22 -0.83 1.57 3.57 -1.37 -2.38 116.94 118.25 2kay h PHE 75 Ca 0.22 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2kay h PHE 75 Cb 0.27 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2kay h PHE 75 CO 0.02 -0.08 0.55 -0.07 -2.23 0.00 0.00 178.31 176.50 2kay h LEU 76 N -0.30 0.92 0.58 0.59 3.38 -1.42 -1.73 115.31 117.34 2kay h LEU 76 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2kay h LEU 76 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kay h LEU 76 CO 0.04 0.65 -0.28 0.74 0.09 0.00 0.00 178.44 179.67 2kay h THR 77 N 1.07 0.42 -0.89 0.22 2.02 -0.96 -1.40 112.91 113.38 2kay h THR 77 Ca 0.32 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 2kay h THR 77 Cb -0.04 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 2kay h THR 77 CO -0.08 0.00 0.50 0.24 0.37 0.00 0.00 175.52 176.55 2kay h MET 78 N -0.79 1.24 -0.30 6.66 2.86 -1.11 -1.12 114.93 122.37 2kay h MET 78 Ca -0.08 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 2kay h MET 78 Cb 0.61 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2kay h MET 78 CO 0.13 0.90 -0.36 -0.07 1.06 0.00 0.00 176.91 178.56 2kay h LEU 79 N 1.25 0.72 -0.53 1.22 3.38 -1.30 -0.08 115.31 119.96 2kay h LEU 79 Ca 0.32 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2kay h LEU 79 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kay h LEU 79 CO -0.05 1.01 -0.72 0.00 0.09 0.00 0.00 178.44 178.77 2kay h MET 81 N 0.08 0.75 -0.56 0.00 2.86 -1.14 -3.07 114.93 113.85 2kay h MET 81 Ca -0.02 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 2kay h MET 81 Cb 1.27 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2kay h MET 81 CO 0.10 0.90 0.01 0.00 1.06 0.00 0.00 176.91 178.99 2kay h ALA 82 N 0.82 0.75 0.00 6.32 0.00 -0.88 -1.14 119.26 125.13 2kay h ALA 82 Ca 0.09 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2kay h ALA 82 Cb 0.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kay h ALA 82 CO 0.04 0.56 -0.29 1.88 0.00 0.00 0.00 179.25 181.44 2kay h TYR 83 N 0.86 0.00 -0.33 0.00 0.05 -1.55 -0.96 116.97 115.04 2kay h TYR 83 Ca 0.16 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.86 2kay h TYR 83 Cb 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2kay h TYR 83 CO 0.04 0.29 -0.12 -0.97 -1.05 0.00 0.00 178.16 176.35 2kay h ASN 84 N 0.00 0.68 0.63 3.88 -1.24 -1.31 -2.34 115.58 115.88 2kay h ASN 84 Ca -0.00 -0.39 -0.10 0.00 0.71 0.00 0.00 56.30 56.52 2kay h ASN 84 Cb 0.64 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2kay h ASN 84 CO 0.04 0.91 -0.50 0.44 -1.29 0.00 0.00 177.43 177.03 2kay h ASP 85 N 0.44 0.00 0.10 1.15 5.19 -0.99 -1.19 116.42 121.11 2kay h ASP 85 Ca 0.08 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2kay h ASP 85 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2kay h ASP 85 CO 0.04 0.50 -0.05 0.15 -3.12 0.00 0.00 179.24 176.76 2kay h PHE 86 N 0.00 -0.12 -0.34 4.55 3.04 -1.22 -3.13 116.94 119.72 2kay h PHE 86 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kay h PHE 86 Cb 0.94 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 2kay h PHE 86 CO 0.00 -0.01 0.22 0.35 -2.02 0.00 0.00 178.31 176.85 2kay h PHE 87 N -0.20 0.43 0.00 0.41 3.04 -0.85 -1.02 116.94 118.76 2kay h PHE 87 Ca -0.01 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kay h PHE 87 Cb 0.16 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 2kay h PHE 87 CO -0.05 0.28 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.44 2kay h LEU 88 N 0.47 0.00 -0.01 0.59 3.38 -1.22 -1.88 115.31 116.64 2kay h LEU 88 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2kay h LEU 88 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kay h LEU 88 CO -0.03 0.01 -0.94 -0.62 0.09 0.00 0.00 178.44 176.96 2kay n GLU 89 N -3.12 0.40 -0.07 1.13 -0.58 -0.44 -4.54 120.64 113.42 2kay n GLU 89 Ca -0.00 -0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 2kay n GLU 89 Cb 0.26 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.46 1.51 -0.18 1.62 2.03 -0.86 -4.62 116.55 114.59 2kay n ASP 90 Ca 0.04 0.11 0.02 0.00 0.52 0.00 0.00 54.79 55.47 2kay n ASP 90 Cb 0.31 -0.37 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 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 -3.45 0.52 -0.21 1.67 5.03 -0.72 -5.09 115.26 113.02 2kay n ASN 91 Ca -0.27 -2.00 0.15 0.00 0.87 0.00 0.00 54.58 53.33 2kay n ASN 91 Cb 0.71 -0.07 0.77 0.00 -1.02 0.00 0.00 39.78 40.17 2kay n ASN 91 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72