#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 0.46 -4.26 0.03 4.71 -1.26 -5.00 120.64 115.32 2kay n GLU 2 Ca 0.00 0.20 -0.23 0.00 -0.01 0.00 0.00 57.16 57.12 2kay n GLU 2 Cb 0.00 -1.27 -0.07 0.00 -1.01 0.00 0.00 31.44 29.09 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 -2.44 3.64 0.65 2.62 -4.23 -1.26 -5.00 115.64 109.63 2kay s THR 3 Ca -0.30 -1.81 0.40 0.00 -1.18 0.00 0.00 61.69 58.80 2kay s THR 3 Cb 0.11 -2.95 0.42 0.00 1.34 0.00 0.00 72.50 71.41 2kay s THR 3 CO 0.38 -0.37 2.31 1.55 -0.54 0.00 0.00 174.62 177.95 2kay h PRO 4 N 1.81 0.00 0.00 3.99 0.13 -1.97 -0.82 132.00 135.13 2kay h PRO 4 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kay h PRO 4 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kay h PRO 4 CO 0.60 0.00 -0.01 1.25 -0.23 0.00 0.00 178.00 179.61 2kay h LEU 5 N 0.00 0.01 -1.44 1.56 7.12 -1.99 -2.26 115.31 118.31 2kay h LEU 5 Ca 0.00 -0.84 -0.03 0.00 0.13 0.00 0.00 57.88 57.14 2kay h LEU 5 Cb 0.07 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 2kay h LEU 5 CO -0.00 0.85 0.00 -0.08 -0.13 0.00 0.00 178.44 179.08 2kay h GLU 6 N -0.83 0.37 0.00 1.25 4.81 -1.86 -0.50 114.58 117.82 2kay h GLU 6 Ca -0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2kay h GLU 6 Cb 0.85 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2kay h GLU 6 CO 0.00 0.39 -0.20 0.87 -0.73 0.00 0.00 179.01 179.34 2kay h LYS 7 N 0.36 0.00 0.02 1.92 1.57 -1.24 -1.44 116.57 117.77 2kay h LYS 7 Ca 0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 2kay h LYS 7 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.56 2kay h LYS 7 CO 0.01 0.20 -0.61 0.00 -0.57 0.00 0.00 179.45 178.48 2kay h ALA 8 N 1.80 0.05 -0.71 3.86 0.00 -0.50 -2.44 119.26 121.31 2kay h ALA 8 Ca -0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2kay h ALA 8 Cb 0.55 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2kay h ALA 8 CO 0.03 0.34 0.21 -0.07 0.00 0.00 0.00 179.25 179.75 2kay h LEU 9 N -0.17 1.04 -0.43 0.00 3.38 -1.17 -1.31 115.31 116.65 2kay h LEU 9 Ca -0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2kay h LEU 9 Cb 1.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2kay h LEU 9 CO 0.12 0.98 0.22 0.71 0.09 0.00 0.00 178.44 180.56 2kay h THR 10 N 1.05 1.17 -0.94 0.22 1.35 -1.39 -2.47 112.91 111.90 2kay h THR 10 Ca 0.23 -0.45 0.14 0.00 -0.55 0.00 0.00 66.41 65.78 2kay h THR 10 Cb 0.32 0.68 -0.08 0.00 -1.73 0.00 0.00 68.15 67.34 2kay h THR 10 CO -0.01 0.18 0.60 0.74 -0.25 0.00 0.00 175.52 176.78 2kay h THR 11 N 0.55 0.84 -0.31 6.82 2.02 -1.04 -0.70 112.91 121.09 2kay h THR 11 Ca 0.15 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2kay h THR 11 Cb 0.08 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.45 2kay h THR 11 CO -0.02 0.14 0.06 -0.03 0.37 0.00 0.00 175.52 176.04 2kay h MET 12 N 0.78 0.17 0.00 6.66 -1.53 -0.78 -1.74 114.93 118.49 2kay h MET 12 Ca 0.48 -0.01 -0.12 0.00 -3.44 0.00 0.00 59.70 56.60 2kay h MET 12 Cb 0.68 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 2kay h MET 12 CO -0.24 0.11 -0.58 -0.39 0.14 0.00 0.00 176.91 175.95 2kay h VAL 13 N 0.17 1.37 0.57 -5.77 -1.51 -1.12 -1.41 116.25 108.57 2kay h VAL 13 Ca 0.15 -2.03 -0.02 0.00 -1.23 0.00 0.00 66.70 63.56 2kay h VAL 13 Cb 0.16 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 2kay h VAL 13 CO -0.19 0.57 -0.40 0.74 -1.23 0.00 0.00 177.57 177.06 2kay h THR 14 N 0.00 0.19 0.00 7.19 2.02 -0.67 -0.07 112.91 121.56 2kay h THR 14 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 2kay h THR 14 Cb 1.06 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2kay h THR 14 CO 0.08 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 175.63 2kay h THR 15 N -0.94 0.69 0.69 3.16 1.03 -1.40 -2.68 112.91 113.47 2kay h THR 15 Ca -0.07 -1.56 -0.03 0.00 -0.01 0.00 0.00 66.41 64.74 2kay h THR 15 Cb 0.78 2.03 0.01 0.00 -1.07 0.00 0.00 68.15 69.90 2kay h THR 15 CO 0.03 0.33 -0.33 0.15 -0.01 0.00 0.00 175.52 175.69 2kay h PHE 16 N 0.00 -0.86 -0.80 0.00 3.57 -1.07 -3.08 116.94 114.70 2kay h PHE 16 Ca -0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2kay h PHE 16 Cb 1.00 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 2kay h PHE 16 CO 0.00 -0.51 0.51 0.45 -2.23 0.00 0.00 178.31 176.53 2kay h HIS 17 N -1.19 0.96 -0.98 0.41 3.86 -0.99 0.33 115.15 117.55 2kay h HIS 17 Ca -0.09 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.30 2kay h HIS 17 Cb 0.73 -0.32 -0.16 0.00 1.06 0.00 0.00 27.41 28.72 2kay h HIS 17 CO 0.00 0.56 -0.37 1.17 0.86 0.00 0.00 177.93 180.15 2kay n LYS 18 N -4.59 -0.21 -0.06 2.45 4.81 -1.01 -1.02 118.16 118.52 2kay n LYS 18 Ca 0.09 1.51 -0.08 0.00 -0.87 0.00 0.00 58.31 58.96 2kay n LYS 18 Cb 0.08 -2.24 -0.15 0.00 0.02 0.00 0.00 35.03 32.74 2kay n LYS 18 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kay n TYR 19 N -5.46 0.41 0.06 5.64 4.01 -0.83 -4.14 117.16 116.86 2kay n TYR 19 Ca 0.11 0.15 -0.08 0.00 -0.16 0.00 0.00 57.90 57.91 2kay n TYR 19 Cb 0.40 -1.06 0.05 0.00 -0.31 0.00 0.00 39.34 38.42 2kay n TYR 19 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kay h SER 20 N 0.00 0.40 1.22 7.72 0.87 -0.25 -2.81 113.55 120.69 2kay h SER 20 Ca -0.42 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 59.85 2kay h SER 20 Cb 2.09 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2kay h SER 20 CO 0.05 0.98 -0.14 1.23 -0.53 0.00 0.00 176.83 178.42 2kay h GLY 21 N 1.41 0.00 -6.17 5.77 0.00 -1.21 -3.35 103.07 99.52 2kay h GLY 21 Ca -0.03 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.57 2kay h GLY 21 CO 0.12 0.00 2.48 -2.13 0.00 0.00 0.00 176.54 177.01 2kay n ARG 22 N -3.22 3.47 0.00 4.80 0.63 -1.06 -4.80 116.66 116.48 2kay n ARG 22 Ca 0.01 -3.18 0.00 0.00 -0.92 0.00 0.00 57.85 53.76 2kay n ARG 22 Cb 0.44 -3.00 0.00 0.00 0.45 0.00 0.00 32.46 30.35 2kay n ARG 22 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kay n GLU 23 N 4.34 0.00 0.00 -0.14 2.13 -1.26 -4.81 120.64 120.90 2kay n GLU 23 Ca 0.47 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2kay n GLU 23 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 2kay n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kay n GLY 24 N -0.09 1.90 3.89 8.31 0.00 -1.26 -4.42 105.19 113.51 2kay n GLY 24 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 4.49 0.00 1.61 0.15 -1.26 -5.03 113.70 109.66 2kay s SER 25 Ca 0.00 0.83 0.24 0.00 0.70 0.00 0.00 55.95 57.73 2kay s SER 25 Cb 0.00 -1.36 0.37 0.00 -1.71 0.00 0.00 66.02 63.33 2kay s SER 25 CO 0.00 -1.92 1.32 2.29 1.20 0.00 0.00 173.24 176.14 2kay n LYS 26 N -3.33 0.86 -0.16 5.44 2.85 -1.26 -3.57 118.16 118.99 2kay n LYS 26 Ca 0.08 -0.62 0.11 0.00 -1.05 0.00 0.00 58.31 56.84 2kay n LYS 26 Cb 0.60 -1.49 0.19 0.00 -0.65 0.00 0.00 35.03 33.69 2kay n LYS 26 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2kay n LEU 27 N -0.53 3.36 -3.88 -5.58 7.94 -1.26 -4.02 117.00 113.02 2kay n LEU 27 Ca 0.10 -1.45 -0.11 0.00 -1.11 0.00 0.00 56.01 53.43 2kay n LEU 27 Cb 0.39 -0.22 -0.12 0.00 0.53 0.00 0.00 43.42 44.01 2kay n LEU 27 CO 0.29 0.71 -0.26 0.42 -1.11 0.00 0.00 177.39 177.44 2kay s THR 28 N -1.49 0.05 -0.66 1.96 -4.23 -1.23 -3.02 115.64 107.01 2kay s THR 28 Ca 0.36 -0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2kay s THR 28 Cb 0.22 -0.25 0.17 0.00 1.34 0.00 0.00 72.50 73.98 2kay s THR 28 CO 0.30 -0.21 0.47 -0.22 -0.54 0.00 0.00 174.62 174.42 2kay s LEU 29 N -0.68 5.13 0.95 4.79 2.96 -0.04 -4.48 118.68 127.31 2kay s LEU 29 Ca -0.08 -3.08 -0.10 0.00 -0.22 0.00 0.00 54.13 50.65 2kay s LEU 29 Cb -0.05 -1.82 0.16 0.00 0.50 0.00 0.00 46.19 44.99 2kay s LEU 29 CO 0.00 -0.30 1.13 -0.24 -1.32 0.00 0.00 176.35 175.62 2kay n SER 30 N 3.15 0.09 0.32 3.68 2.88 -1.26 -1.90 113.62 120.57 2kay n SER 30 Ca 0.10 0.36 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2kay n SER 30 Cb 0.37 -1.45 0.65 0.00 -0.75 0.00 0.00 64.21 63.03 2kay n SER 30 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kay h ARG 31 N -1.99 0.00 0.00 -1.46 1.12 -1.26 0.34 114.38 111.12 2kay h ARG 31 Ca -0.45 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.20 2kay h ARG 31 Cb 1.28 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.20 2kay h ARG 31 CO 0.42 0.00 -2.19 1.17 -3.11 0.00 0.00 179.97 176.26 2kay n LYS 32 N -2.85 0.75 0.14 0.20 0.00 -1.26 -4.40 118.16 110.73 2kay n LYS 32 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 2kay n LYS 32 Cb 0.52 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.97 2kay n LYS 32 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2kay h GLU 33 N 0.00 -0.34 -0.76 1.64 5.08 -0.74 -3.32 114.58 116.14 2kay h GLU 33 Ca -0.32 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2kay h GLU 33 Cb 1.72 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.94 2kay h GLU 33 CO 0.02 -0.03 0.28 1.25 -1.00 0.00 0.00 179.01 179.53 2kay h LEU 34 N -0.66 0.23 -1.51 1.33 5.85 -1.17 -2.11 115.31 117.27 2kay h LEU 34 Ca -0.04 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2kay h LEU 34 Cb 0.46 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 2kay h LEU 34 CO 0.06 0.07 0.46 0.50 -0.34 0.00 0.00 178.44 179.19 2kay h LYS 35 N 0.40 0.54 -0.69 1.25 3.11 -1.77 -0.97 116.57 118.44 2kay h LYS 35 Ca 0.42 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.23 2kay h LYS 35 Cb 0.67 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2kay h LYS 35 CO -0.43 0.36 0.00 -1.91 -2.81 0.00 0.00 179.45 174.65 2kay n GLU 36 N -4.49 3.49 -0.10 1.90 4.07 -0.80 -3.27 120.64 121.44 2kay n GLU 36 Ca 0.12 -2.83 -0.15 0.00 -0.06 0.00 0.00 57.16 54.23 2kay n GLU 36 Cb 0.36 -1.82 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 2kay n GLU 36 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2kay n LEU 37 N 1.30 1.91 0.42 4.31 7.94 -0.55 -4.49 117.00 127.84 2kay n LEU 37 Ca 0.26 0.41 -0.16 0.00 -1.11 0.00 0.00 56.01 55.40 2kay n LEU 37 Cb 0.83 -0.82 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 2kay n LEU 37 CO 0.22 -0.01 0.52 0.40 -1.11 0.00 0.00 177.39 177.41 2kay h ILE 38 N -1.00 0.00 0.00 1.96 2.04 -1.36 -1.66 117.51 117.49 2kay h ILE 38 Ca -0.23 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2kay h ILE 38 Cb 1.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2kay h ILE 38 CO -0.14 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.18 2kay n LYS 39 N -4.94 0.04 0.08 2.37 0.00 -1.20 -0.56 118.16 113.94 2kay n LYS 39 Ca -0.13 0.33 -0.21 0.00 0.00 0.00 0.00 58.31 58.29 2kay n LYS 39 Cb 0.42 -1.59 -0.14 0.00 0.00 0.00 0.00 35.03 33.73 2kay n LYS 39 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2kay h LYS 40 N 0.00 0.47 0.00 1.64 3.11 -1.66 -3.39 116.57 116.75 2kay h LYS 40 Ca 0.00 -0.69 0.00 0.00 -2.81 0.00 0.00 60.65 57.15 2kay h LYS 40 Cb 0.23 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2kay h LYS 40 CO 0.00 1.31 0.00 0.39 -2.81 0.00 0.00 179.45 178.34 2kay n GLU 41 N -3.95 0.00 0.00 1.90 -0.58 -0.67 -4.77 120.64 112.57 2kay n GLU 41 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2kay n GLU 41 Cb 0.91 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 2kay n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kay n LEU 42 N -2.23 0.98 -0.26 -4.62 4.77 0.27 -4.50 117.00 111.42 2kay n LEU 42 Ca 0.00 -0.49 0.18 0.00 -0.03 0.00 0.00 56.01 55.67 2kay n LEU 42 Cb 0.00 -0.32 0.48 0.00 -2.33 0.00 0.00 43.42 41.25 2kay n LEU 42 CO 0.00 0.20 1.22 0.00 -1.33 0.00 0.00 177.39 177.48 2kay h LEU 44 N 0.46 0.00 -1.53 0.00 -0.00 -1.94 -2.49 115.31 109.81 2kay h LEU 44 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 2kay h LEU 44 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2kay h LEU 44 CO -0.21 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.84 2kay n GLY 45 N -0.87 1.64 2.36 0.17 0.00 -1.14 -4.79 105.19 102.56 2kay n GLY 45 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 0.30 -1.41 -0.50 1.61 -0.58 -0.96 -4.87 120.64 114.23 2kay n GLU 46 Ca 0.00 1.04 -0.04 0.00 -0.42 0.00 0.00 57.16 57.75 2kay n GLU 46 Cb 0.35 -5.38 0.01 0.00 -0.57 0.00 0.00 31.44 25.85 2kay n GLU 46 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2kay n MET 47 N -2.20 1.18 -1.45 3.49 1.56 -1.08 -4.76 117.12 113.86 2kay n MET 47 Ca -0.18 -0.36 -0.30 0.00 -0.27 0.00 0.00 57.70 56.59 2kay n MET 47 Cb 0.59 -1.14 0.09 0.00 2.15 0.00 0.00 33.22 34.91 2kay n MET 47 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2kay s LYS 48 N -0.41 2.18 0.04 2.12 -2.85 -1.26 -4.23 119.74 115.32 2kay s LYS 48 Ca 0.07 0.83 -0.08 0.00 -1.00 0.00 0.00 55.97 55.79 2kay s LYS 48 Cb 0.06 -1.91 -0.02 0.00 -2.06 0.00 0.00 37.83 33.89 2kay s LYS 48 CO 0.00 -1.60 0.41 0.39 0.10 0.00 0.00 175.35 174.65 2kay n GLU 49 N -3.45 -0.11 0.00 1.78 4.71 -1.26 -0.81 120.64 121.50 2kay n GLU 49 Ca 0.07 0.40 0.08 0.00 -0.01 0.00 0.00 57.16 57.70 2kay n GLU 49 Cb 0.55 -0.59 0.34 0.00 -1.01 0.00 0.00 31.44 30.73 2kay n GLU 49 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kay n SER 50 N -4.17 0.02 0.07 1.62 2.88 -1.26 -0.84 113.62 111.92 2kay n SER 50 Ca 0.01 0.50 0.13 0.00 -1.33 0.00 0.00 58.87 58.18 2kay n SER 50 Cb 0.07 -0.51 0.33 0.00 -0.75 0.00 0.00 64.21 63.34 2kay n SER 50 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kay n SER 51 N -1.52 0.65 0.08 -3.46 2.88 0.01 -4.39 113.62 107.87 2kay n SER 51 Ca 0.04 0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.78 2kay n SER 51 Cb 0.19 -0.30 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 2kay n SER 51 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2kay h ILE 52 N 0.00 1.60 -0.37 2.46 1.08 -1.10 -3.10 117.51 118.08 2kay h ILE 52 Ca 0.00 -3.19 -0.06 0.00 -0.39 0.00 0.00 64.86 61.23 2kay h ILE 52 Cb 0.69 2.86 -0.01 0.00 -3.07 0.00 0.00 36.82 37.29 2kay h ILE 52 CO 0.00 0.92 0.00 0.44 -0.69 0.00 0.00 178.15 178.82 2kay h ASP 53 N 0.04 0.64 -0.11 1.72 5.19 -1.77 0.80 116.42 122.93 2kay h ASP 53 Ca -0.07 -0.31 -0.19 0.00 -0.62 0.00 0.00 57.03 55.84 2kay h ASP 53 Cb 1.84 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.18 2kay h ASP 53 CO 0.17 0.79 -0.63 -0.78 -3.12 0.00 0.00 179.24 175.66 2kay h ASP 54 N 0.47 0.83 -0.08 6.45 1.82 -1.83 -2.10 116.42 121.97 2kay h ASP 54 Ca 0.10 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2kay h ASP 54 Cb 0.46 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2kay h ASP 54 CO 0.02 1.25 0.05 0.25 -1.61 0.00 0.00 179.24 179.21 2kay h LEU 55 N 0.53 0.09 -0.60 2.28 7.12 -1.45 -2.15 115.31 121.14 2kay h LEU 55 Ca -0.01 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.03 2kay h LEU 55 Cb 1.23 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.30 2kay h LEU 55 CO 0.13 0.07 0.36 -0.03 -0.13 0.00 0.00 178.44 178.84 2kay h MET 56 N 0.11 0.68 -0.46 1.25 4.05 -0.83 -0.89 114.93 118.85 2kay h MET 56 Ca 0.03 -0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.53 2kay h MET 56 Cb -0.01 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 2kay h MET 56 CO -0.01 0.45 0.32 -0.22 0.23 0.00 0.00 176.91 177.68 2kay h LYS 57 N 0.70 0.09 0.00 0.39 3.11 -1.19 -1.50 116.57 118.16 2kay h LYS 57 Ca 0.24 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.00 2kay h LYS 57 Cb 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.24 2kay h LYS 57 CO -0.11 0.06 -0.35 1.03 -2.81 0.00 0.00 179.45 177.27 2kay h SER 58 N 0.09 0.00 0.37 4.20 0.87 -0.50 -3.38 113.55 115.20 2kay h SER 58 Ca 0.22 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.46 2kay h SER 58 Cb 0.74 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 2kay h SER 58 CO -0.02 0.35 -1.77 -0.07 -0.53 0.00 0.00 176.83 174.80 2kay h LEU 59 N 0.00 0.19-10.18 2.23 3.38 -0.81 -3.47 115.31 106.65 2kay h LEU 59 Ca -0.00 -0.40 -0.48 0.00 0.09 0.00 0.00 57.88 57.09 2kay h LEU 59 Cb 1.25 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.95 2kay h LEU 59 CO 0.05 1.35 0.29 -0.62 0.09 0.00 0.00 178.44 179.60 2kay s ASP 60 N -6.54 6.58 -0.01 -0.43 2.15 -1.15 -4.82 116.67 112.46 2kay s ASP 60 Ca -0.11 1.42 0.01 0.00 0.43 0.00 0.00 52.55 54.30 2kay s ASP 60 Cb 0.07 -2.45 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 2kay s ASP 60 CO 0.81 -0.53 0.82 0.29 -0.17 0.00 0.00 175.17 176.39 2kay n LYS 61 N -1.51 1.76 0.00 4.34 4.01 -1.26 -4.90 118.16 120.60 2kay n LYS 61 Ca 0.05 -1.16 0.00 0.00 -0.51 0.00 0.00 58.31 56.69 2kay n LYS 61 Cb 0.54 -0.82 0.00 0.00 -0.51 0.00 0.00 35.03 34.24 2kay n LYS 61 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2kay n ASN 62 N -0.34 4.28 -0.31 4.39 5.03 -1.26 -5.03 115.26 122.01 2kay n ASN 62 Ca 0.01 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.42 2kay n ASN 62 Cb 0.37 0.31 -0.01 0.00 -1.02 0.00 0.00 39.78 39.42 2kay n ASN 62 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2kay n SER 63 N -2.05 -2.93 0.17 6.41 2.88 -1.26 -4.97 113.62 111.87 2kay n SER 63 Ca 0.00 0.06 0.05 0.00 -1.33 0.00 0.00 58.87 57.65 2kay n SER 63 Cb 0.46 -1.23 0.18 0.00 -0.75 0.00 0.00 64.21 62.86 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 -0.62 -3.46 3.04 -2.00 -3.47 116.42 109.91 2kay h ASP 64 Ca -0.08 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.45 2kay h ASP 64 Cb 0.48 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 38.67 2kay h ASP 64 CO 0.10 0.39 -0.24 0.00 -2.04 0.00 0.00 179.24 177.45 2kay n GLN 65 N -3.30 -0.93 -4.33 4.15 6.02 -1.26 -5.04 117.38 112.70 2kay n GLN 65 Ca 0.01 0.96 -0.21 0.00 -0.01 0.00 0.00 57.00 57.75 2kay n GLN 65 Cb 0.62 -5.01 -0.16 0.00 1.02 0.00 0.00 30.24 26.70 2kay n GLN 65 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2kay s GLU 66 N -3.09 1.03 -0.48 -1.09 -1.05 -1.26 -0.62 118.70 112.13 2kay s GLU 66 Ca 0.00 -0.24 -0.28 0.00 -0.15 0.00 0.00 54.97 54.30 2kay s GLU 66 Cb 0.00 -0.95 0.01 0.00 -0.44 0.00 0.00 34.13 32.75 2kay s GLU 66 CO 0.00 0.02 1.48 0.42 0.95 0.00 0.00 175.26 178.12 2kay s ILE 67 N 0.56 3.78 0.69 1.83 -1.09 -0.80 -4.85 121.20 121.32 2kay s ILE 67 Ca -0.09 0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 58.90 2kay s ILE 67 Cb -0.12 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.54 2kay s ILE 67 CO 0.01 -0.91 1.23 -1.81 -1.23 0.00 0.00 174.94 172.23 2kay s ASP 68 N 4.60 4.41 0.58 3.58 1.11 -1.26 -0.86 116.67 128.84 2kay s ASP 68 Ca 0.60 2.43 0.28 0.00 0.18 0.00 0.00 52.55 56.04 2kay s ASP 68 Cb -0.13 -2.60 1.70 0.00 1.07 0.00 0.00 42.92 42.96 2kay s ASP 68 CO 0.29 -2.12 2.17 0.15 1.18 0.00 0.00 175.17 176.84 2kay h PHE 69 N 0.06 0.00 -0.18 4.23 3.57 -1.93 0.86 116.94 123.55 2kay h PHE 69 Ca -0.49 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 60.88 2kay h PHE 69 Cb 1.31 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2kay h PHE 69 CO 0.45 0.00 -0.43 0.87 -2.23 0.00 0.00 178.31 176.97 2kay h LYS 70 N 0.00 0.44 0.15 1.11 6.56 -1.91 -3.21 116.57 119.71 2kay h LYS 70 Ca 0.05 -0.23 -0.29 0.00 -1.06 0.00 0.00 60.65 59.12 2kay h LYS 70 Cb 0.25 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 31.93 2kay h LYS 70 CO -0.00 0.80 -1.27 0.93 -2.06 0.00 0.00 179.45 177.85 2kay h GLU 71 N 0.36 0.40 -0.85 3.15 5.08 -1.26 -3.27 114.58 118.20 2kay h GLU 71 Ca 0.03 -0.63 0.16 0.00 -1.00 0.00 0.00 59.36 57.92 2kay h GLU 71 Cb 0.91 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 2kay h GLU 71 CO 0.08 1.28 0.55 -0.92 -1.00 0.00 0.00 179.01 179.01 2kay h TYR 72 N 0.14 0.65 -0.40 4.33 3.20 -1.04 0.21 116.97 124.05 2kay h TYR 72 Ca -0.17 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.84 2kay h TYR 72 Cb 1.97 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 40.02 2kay h TYR 72 CO 0.09 0.23 0.29 0.77 -1.64 0.00 0.00 178.16 177.89 2kay h SER 73 N 0.54 0.01 0.06 -2.11 0.02 -1.60 -2.22 113.55 108.25 2kay h SER 73 Ca 0.43 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.22 2kay h SER 73 Cb 0.86 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2kay h SER 73 CO -0.17 0.01 -0.56 0.58 -1.14 0.00 0.00 176.83 175.54 2kay h VAL 74 N 0.01 1.33 0.03 2.27 2.07 -0.74 -2.29 116.25 118.92 2kay h VAL 74 Ca 0.19 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 2kay h VAL 74 Cb 0.75 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2kay h VAL 74 CO -0.00 0.56 -0.02 0.15 0.02 0.00 0.00 177.57 178.28 2kay h PHE 75 N 0.40 -0.04 -0.15 1.57 3.57 -1.41 -0.52 116.94 120.36 2kay h PHE 75 Ca 0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kay h PHE 75 Cb 1.10 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2kay h PHE 75 CO 0.04 -0.02 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.99 2kay h LEU 76 N -0.04 -0.14 -0.18 0.59 -0.00 -1.54 -2.63 115.31 111.37 2kay h LEU 76 Ca -0.00 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.97 2kay h LEU 76 Cb 0.03 0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 40.72 2kay h LEU 76 CO 0.00 -0.05 -0.20 0.74 -0.00 0.00 0.00 178.44 178.93 2kay h THR 77 N 0.00 0.47 -0.36 0.22 2.02 -1.17 0.12 112.91 114.21 2kay h THR 77 Ca 0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.31 2kay h THR 77 Cb 0.11 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 2kay h THR 77 CO -0.15 0.00 0.06 0.24 0.37 0.00 0.00 175.52 176.04 2kay h MET 78 N -0.23 0.18 -0.40 6.66 2.86 -0.99 -0.59 114.93 122.42 2kay h MET 78 Ca 0.12 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2kay h MET 78 Cb 0.41 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2kay h MET 78 CO -0.32 0.12 -0.03 -0.07 1.06 0.00 0.00 176.91 177.67 2kay h LEU 79 N 0.18 0.71 -1.57 1.22 3.38 -1.14 -2.48 115.31 115.62 2kay h LEU 79 Ca 0.17 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2kay h LEU 79 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2kay h LEU 79 CO -0.24 0.87 0.20 0.00 0.09 0.00 0.00 178.44 179.36 2kay h MET 81 N 0.49 0.50 -0.37 0.00 2.86 -0.87 -1.63 114.93 115.92 2kay h MET 81 Ca 0.13 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2kay h MET 81 Cb 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2kay h MET 81 CO -0.02 0.76 -0.02 0.00 1.06 0.00 0.00 176.91 178.69 2kay h ALA 82 N 1.24 0.50 0.00 6.32 0.00 -0.93 -3.06 119.26 123.33 2kay h ALA 82 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kay h ALA 82 Cb 0.75 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kay h ALA 82 CO 0.06 0.29 -0.09 1.88 0.00 0.00 0.00 179.25 181.39 2kay h TYR 83 N 0.48 0.00 -0.29 0.00 0.05 -1.02 -1.99 116.97 114.20 2kay h TYR 83 Ca 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 2kay h TYR 83 Cb 0.49 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2kay h TYR 83 CO 0.04 0.09 -0.07 -0.97 -1.05 0.00 0.00 178.16 176.20 2kay h ASN 84 N 0.00 0.55 -0.13 3.88 -0.73 -1.19 -2.55 115.58 115.41 2kay h ASN 84 Ca -0.00 -0.36 -0.07 0.00 1.87 0.00 0.00 56.30 57.73 2kay h ASN 84 Cb 0.29 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 2kay h ASN 84 CO 0.01 0.79 -0.19 -0.78 -0.37 0.00 0.00 177.43 176.89 2kay h ASP 85 N 0.31 0.40 -0.42 1.15 3.58 -1.50 -3.13 116.42 116.82 2kay h ASP 85 Ca 0.07 -0.52 0.08 0.00 0.42 0.00 0.00 57.03 57.08 2kay h ASP 85 Cb 0.55 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.41 2kay h ASP 85 CO 0.03 0.84 -0.11 0.15 -2.88 0.00 0.00 179.24 177.27 2kay h PHE 86 N -0.03 -0.23 0.00 0.28 3.04 -1.46 -1.31 116.94 117.22 2kay h PHE 86 Ca 0.01 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 2kay h PHE 86 Cb 0.75 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 2kay h PHE 86 CO 0.10 -0.18 -0.00 0.35 -2.02 0.00 0.00 178.31 176.55 2kay h PHE 87 N -0.01 0.00 0.00 0.41 3.04 -1.47 -0.98 116.94 117.93 2kay h PHE 87 Ca 0.20 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 2kay h PHE 87 Cb 0.31 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.82 2kay h PHE 87 CO -0.37 0.00 0.00 -0.07 -2.02 0.00 0.00 178.31 175.85 2kay h LEU 88 N 0.00 0.00 0.00 0.59 3.38 -1.18 -2.56 115.31 115.55 2kay h LEU 88 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kay h LEU 88 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kay h LEU 88 CO 0.00 0.00 -1.79 -0.62 0.09 0.00 0.00 178.44 176.12 2kay n GLU 89 N -2.37 0.55 -0.08 1.13 -0.58 -0.64 -4.62 120.64 114.02 2kay n GLU 89 Ca 0.04 -0.15 -0.23 0.00 -0.42 0.00 0.00 57.16 56.40 2kay n GLU 89 Cb 0.37 -1.41 -0.12 0.00 -0.57 0.00 0.00 31.44 29.72 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 -2.11 1.99 -0.67 1.62 -0.08 -0.47 -4.34 116.55 112.49 2kay n ASP 90 Ca -0.04 0.22 0.05 0.00 -1.51 0.00 0.00 54.79 53.51 2kay n ASP 90 Cb 0.47 -0.79 0.14 0.00 2.34 0.00 0.00 41.12 43.28 2kay n ASP 90 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kay n ASN 91 N -3.86 1.91 -0.84 1.67 5.03 -0.97 -5.07 115.26 113.13 2kay n ASN 91 Ca -0.40 -2.07 0.11 0.00 0.87 0.00 0.00 54.58 53.09 2kay n ASN 91 Cb 0.90 -0.28 0.09 0.00 -1.02 0.00 0.00 39.78 39.47 2kay n ASN 91 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60