#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 -3.73 0.03 4.71 -1.26 -4.88 120.64 115.51 2kay n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 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 0.00 0.06 -0.75 2.62 -4.23 -1.26 -5.02 115.64 107.05 2kay s THR 3 Ca 0.00 -0.79 0.12 0.00 -1.18 0.00 0.00 61.69 59.84 2kay s THR 3 Cb 0.00 -1.42 0.12 0.00 1.34 0.00 0.00 72.50 72.54 2kay s THR 3 CO 0.00 -0.26 1.38 -0.81 -0.54 0.00 0.00 174.62 174.40 2kay n PRO 4 N -0.26 0.06 0.03 3.99 -0.04 -1.26 -1.69 135.00 135.83 2kay n PRO 4 Ca -0.13 0.44 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 2kay n PRO 4 Cb 0.63 -1.66 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2kay n PRO 4 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kay h LEU 5 N 0.00 0.42 -0.19 1.53 6.46 -1.97 -0.70 115.31 120.86 2kay h LEU 5 Ca 0.00 -0.77 0.04 0.00 -0.12 0.00 0.00 57.88 57.04 2kay h LEU 5 Cb 0.13 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 2kay h LEU 5 CO 0.00 1.67 -0.08 -0.08 -0.62 0.00 0.00 178.44 179.33 2kay h GLU 6 N 0.07 -0.05 -0.18 1.25 4.22 -1.93 -0.90 114.58 117.06 2kay h GLU 6 Ca -0.35 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.11 2kay h GLU 6 Cb 2.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2kay h GLU 6 CO 0.13 -0.03 0.12 0.87 -2.18 0.00 0.00 179.01 177.92 2kay h LYS 7 N -0.05 0.14 0.28 1.92 1.79 -1.36 -0.04 116.57 119.25 2kay h LYS 7 Ca 0.10 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2kay h LYS 7 Cb 0.20 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2kay h LYS 7 CO -0.22 0.09 -0.13 0.00 -1.08 0.00 0.00 179.45 178.10 2kay h ALA 8 N 1.90 -0.37 -0.65 3.86 0.00 -0.58 0.06 119.26 123.47 2kay h ALA 8 Ca 0.08 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2kay h ALA 8 Cb 0.13 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2kay h ALA 8 CO -0.01 -0.57 0.30 -0.07 0.00 0.00 0.00 179.25 178.90 2kay h LEU 9 N -0.64 0.38 -0.62 0.00 3.38 -0.42 0.40 115.31 117.79 2kay h LEU 9 Ca -0.04 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2kay h LEU 9 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2kay h LEU 9 CO 0.06 0.22 -0.38 0.71 0.09 0.00 0.00 178.44 179.14 2kay h THR 10 N 0.53 1.29 -0.86 0.22 1.35 -1.06 -2.61 112.91 111.78 2kay h THR 10 Ca 0.32 -1.54 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 2kay h THR 10 Cb 0.34 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.20 2kay h THR 10 CO -0.26 0.50 0.42 0.74 -0.25 0.00 0.00 175.52 176.66 2kay h THR 11 N 0.55 1.26 0.19 6.82 2.02 -0.30 -1.57 112.91 121.88 2kay h THR 11 Ca 0.05 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2kay h THR 11 Cb 0.90 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2kay h THR 11 CO 0.08 0.31 -0.09 0.24 0.37 0.00 0.00 175.52 176.43 2kay h MET 12 N 1.22 -0.25 -0.35 6.66 2.07 -0.73 -0.53 114.93 123.02 2kay h MET 12 Ca 0.29 0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.90 2kay h MET 12 Cb 0.11 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 2kay h MET 12 CO -0.04 -0.14 0.03 -0.24 1.07 0.00 0.00 176.91 177.59 2kay h VAL 13 N -0.28 1.19 0.35 -2.22 3.04 -1.45 -1.42 116.25 115.44 2kay h VAL 13 Ca -0.03 -0.71 -0.02 0.00 -1.01 0.00 0.00 66.70 64.94 2kay h VAL 13 Cb 0.22 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2kay h VAL 13 CO 0.04 0.25 -0.17 0.74 -1.01 0.00 0.00 177.57 177.42 2kay h THR 14 N 0.51 0.67 -0.74 3.17 2.02 -0.80 0.16 112.91 117.90 2kay h THR 14 Ca 0.11 -0.16 0.08 0.00 0.77 0.00 0.00 66.41 67.21 2kay h THR 14 Cb 0.28 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 2kay h THR 14 CO 0.00 0.03 0.42 0.71 0.37 0.00 0.00 175.52 177.05 2kay h THR 15 N -0.55 0.94 0.36 3.16 1.35 -1.06 -2.19 112.91 114.92 2kay h THR 15 Ca -0.05 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 65.54 2kay h THR 15 Cb 0.41 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 2kay h THR 15 CO 0.08 0.13 -0.17 0.15 -0.25 0.00 0.00 175.52 175.46 2kay h PHE 16 N 0.73 -0.45 -0.14 4.73 3.57 -0.69 -1.29 116.94 123.40 2kay h PHE 16 Ca 0.34 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 2kay h PHE 16 Cb 0.27 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2kay h PHE 16 CO -0.07 -0.16 -0.33 0.45 -2.23 0.00 0.00 178.31 175.97 2kay h HIS 17 N -0.72 0.31 0.00 0.41 3.86 -1.04 0.11 115.15 118.08 2kay h HIS 17 Ca -0.05 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2kay h HIS 17 Cb 0.50 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2kay h HIS 17 CO 0.00 0.57 0.00 1.17 0.86 0.00 0.00 177.93 180.54 2kay n LYS 18 N -4.09 0.15 -0.03 2.45 4.81 -0.82 -1.85 118.16 118.76 2kay n LYS 18 Ca -0.01 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2kay n LYS 18 Cb 0.42 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.63 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 -1.96 0.84 -0.31 5.64 4.02 -0.50 -4.86 117.16 120.03 2kay n TYR 19 Ca 0.05 0.26 0.08 0.00 -0.01 0.00 0.00 57.90 58.27 2kay n TYR 19 Cb 0.33 -1.14 0.18 0.00 -0.02 0.00 0.00 39.34 38.70 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 0.02 -0.59 -0.15 7.72 4.64 -0.02 -0.87 113.55 124.29 2kay h SER 20 Ca -0.38 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2kay h SER 20 Cb 2.05 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 64.61 2kay h SER 20 CO 0.06 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 2kay n GLY 21 N -1.51 0.09 2.58 -0.77 0.00 -1.26 -4.21 105.19 100.12 2kay n GLY 21 Ca 0.16 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2kay n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kay n ARG 22 N 0.15 2.53 0.00 1.61 1.74 -0.33 -4.85 116.66 117.51 2kay n ARG 22 Ca 0.15 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.61 2kay n ARG 22 Cb 0.28 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 2kay n ARG 22 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kay n GLU 23 N 0.60 0.00 0.00 5.56 2.13 -1.26 -4.62 120.64 123.05 2kay n GLU 23 Ca 0.50 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2kay n GLU 23 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 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 -0.30 0.11 3.82 8.31 0.00 -1.26 -4.66 105.19 111.20 2kay n GLY 24 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 5.06 0.60 1.61 0.15 -1.26 -4.83 113.70 111.04 2kay s SER 25 Ca 0.00 1.48 0.28 0.00 0.70 0.00 0.00 55.95 58.41 2kay s SER 25 Cb 0.00 -2.31 1.36 0.00 -1.71 0.00 0.00 66.02 63.36 2kay s SER 25 CO 0.00 -1.63 1.77 0.11 1.20 0.00 0.00 173.24 174.69 2kay h LYS 26 N -0.85 0.00 0.00 5.44 1.79 -1.88 -2.27 116.57 118.80 2kay h LYS 26 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2kay h LYS 26 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2kay h LYS 26 CO 0.58 0.00 -0.92 -0.11 -1.08 0.00 0.00 179.45 177.92 2kay n LEU 27 N -3.50 0.63 -4.18 2.94 7.94 -1.26 -4.81 117.00 114.76 2kay n LEU 27 Ca 0.10 -0.03 -0.22 0.00 -1.11 0.00 0.00 56.01 54.74 2kay n LEU 27 Cb 0.80 -0.12 -0.14 0.00 0.53 0.00 0.00 43.42 44.49 2kay n LEU 27 CO 0.25 0.06 -0.49 0.42 -1.11 0.00 0.00 177.39 176.52 2kay s THR 28 N -3.15 1.31 -0.27 1.96 -4.23 -0.86 -2.94 115.64 107.46 2kay s THR 28 Ca 0.05 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.42 2kay s THR 28 Cb 0.15 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 2kay s THR 28 CO 0.79 0.10 0.16 -0.76 -0.54 0.00 0.00 174.62 174.37 2kay s LEU 29 N -1.10 3.92 0.88 4.79 1.43 -0.07 -4.21 118.68 124.32 2kay s LEU 29 Ca 0.04 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 2kay s LEU 29 Cb -0.08 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.18 2kay s LEU 29 CO 0.01 -0.04 1.19 -0.94 0.23 0.00 0.00 176.35 176.81 2kay s SER 30 N 1.67 3.86 0.58 2.29 1.04 -1.26 -1.15 113.70 120.72 2kay s SER 30 Ca 0.07 0.72 0.34 0.00 0.48 0.00 0.00 55.95 57.57 2kay s SER 30 Cb -0.16 -1.14 1.39 0.00 0.10 0.00 0.00 66.02 66.21 2kay s SER 30 CO 0.09 -2.31 1.64 0.03 0.98 0.00 0.00 173.24 173.67 2kay h ARG 31 N -1.34 0.00 0.00 4.02 2.47 -1.99 0.15 114.38 117.69 2kay h ARG 31 Ca -0.47 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 57.96 2kay h ARG 31 Cb 1.31 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.58 2kay h ARG 31 CO 0.58 0.00 -2.11 1.63 0.56 0.00 0.00 179.97 180.64 2kay n LYS 32 N -3.75 0.59 0.18 0.04 4.01 -1.26 -3.97 118.16 114.01 2kay n LYS 32 Ca 0.24 0.10 0.02 0.00 -0.51 0.00 0.00 58.31 58.16 2kay n LYS 32 Cb 1.33 -1.39 0.35 0.00 -0.51 0.00 0.00 35.03 34.80 2kay n LYS 32 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2kay h GLU 33 N 0.00 0.01 -0.01 1.97 4.81 -1.75 -3.17 114.58 116.44 2kay h GLU 33 Ca -0.43 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 2kay h GLU 33 Cb 1.71 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 2kay h GLU 33 CO -0.06 0.39 -0.20 1.25 -0.73 0.00 0.00 179.01 179.66 2kay h LEU 34 N 0.01 0.19 -1.28 1.64 5.85 -0.93 -3.27 115.31 117.52 2kay h LEU 34 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2kay h LEU 34 Cb 0.68 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2kay h LEU 34 CO 0.05 0.92 0.00 0.07 -0.34 0.00 0.00 178.44 179.14 2kay h LYS 35 N -0.52 0.00 0.06 1.25 5.09 -1.67 -2.56 116.57 118.21 2kay h LYS 35 Ca -0.02 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.34 2kay h LYS 35 Cb 0.94 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.23 2kay h LYS 35 CO 0.04 0.00 -2.21 -1.91 -2.09 0.00 0.00 179.45 173.28 2kay n GLU 36 N -2.32 0.71 0.04 0.07 4.07 -1.22 -4.00 120.64 117.98 2kay n GLU 36 Ca -0.00 0.20 -0.11 0.00 -0.06 0.00 0.00 57.16 57.19 2kay n GLU 36 Cb 0.11 -1.62 -0.06 0.00 -0.06 0.00 0.00 31.44 29.81 2kay n GLU 36 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2kay h LEU 37 N 0.04 -0.17 0.08 4.31 5.85 -1.51 -0.50 115.31 123.41 2kay h LEU 37 Ca -0.49 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.28 2kay h LEU 37 Cb 1.98 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 43.04 2kay h LEU 37 CO 0.01 -0.09 -0.40 0.40 -0.34 0.00 0.00 178.44 178.02 2kay h ILE 38 N -0.10 0.18 0.00 4.05 2.04 -1.75 -1.10 117.51 120.83 2kay h ILE 38 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2kay h ILE 38 Cb 0.13 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2kay h ILE 38 CO -0.07 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.25 2kay n LYS 39 N -5.45 0.06 -0.06 2.37 4.81 -1.08 -0.76 118.16 118.04 2kay n LYS 39 Ca -0.07 0.27 -0.13 0.00 -0.87 0.00 0.00 58.31 57.51 2kay n LYS 39 Cb 0.37 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 2kay n LYS 39 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kay n LYS 40 N -1.42 0.68 0.09 1.64 4.76 -0.22 -3.62 118.16 120.08 2kay n LYS 40 Ca 0.04 0.16 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 2kay n LYS 40 Cb 0.11 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 31.64 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 0.01 -0.23 -0.77 1.97 4.81 -0.46 -3.29 114.58 116.62 2kay h GLU 41 Ca -0.45 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2kay h GLU 41 Cb 2.08 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.51 2kay h GLU 41 CO 0.03 -0.15 0.00 1.28 -0.73 0.00 0.00 179.01 179.44 2kay n LEU 42 N -3.00 0.79 0.00 1.64 7.99 0.06 -4.21 117.00 120.27 2kay n LEU 42 Ca -0.03 -0.40 0.05 0.00 -0.01 0.00 0.00 56.01 55.62 2kay n LEU 42 Cb 0.09 -0.26 0.27 0.00 -0.11 0.00 0.00 43.42 43.41 2kay n LEU 42 CO 0.07 0.16 0.48 0.00 -1.51 0.00 0.00 177.39 176.60 2kay n LEU 44 N -0.89 0.14 0.00 0.00 -0.00 -1.26 -4.80 117.00 110.19 2kay n LEU 44 Ca 0.07 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.62 2kay n LEU 44 Cb 0.03 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2kay n LEU 44 CO 0.05 -0.34 0.00 0.61 -0.00 0.00 0.00 177.39 177.71 2kay n GLY 45 N -0.15 -0.51 1.89 1.47 0.00 -0.98 -5.18 105.19 101.73 2kay n GLY 45 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 1.09 -2.75 1.61 -0.58 -0.66 -4.91 120.64 114.45 2kay n GLU 46 Ca 0.00 -1.93 -0.18 0.00 -0.42 0.00 0.00 57.16 54.63 2kay n GLU 46 Cb 0.00 0.73 0.02 0.00 -0.57 0.00 0.00 31.44 31.62 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 -0.60 -3.42 -1.54 3.49 2.81 -1.26 -4.63 117.12 111.97 2kay n MET 47 Ca -0.08 0.79 -0.36 0.00 -1.81 0.00 0.00 57.70 56.24 2kay n MET 47 Cb 0.34 -5.32 0.09 0.00 -0.71 0.00 0.00 33.22 27.61 2kay n MET 47 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kay n LYS 48 N -3.29 0.83 -0.31 0.03 4.01 -1.26 -4.48 118.16 113.70 2kay n LYS 48 Ca -0.13 0.35 0.15 0.00 -0.51 0.00 0.00 58.31 58.18 2kay n LYS 48 Cb 0.62 -2.49 0.32 0.00 -0.51 0.00 0.00 35.03 32.97 2kay n LYS 48 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2kay h GLU 49 N 0.10 0.17 0.00 1.97 4.39 -1.94 0.04 114.58 119.32 2kay h GLU 49 Ca -0.50 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2kay h GLU 49 Cb 1.33 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2kay h GLU 49 CO 0.51 0.11 0.00 1.03 -1.16 0.00 0.00 179.01 179.50 2kay h SER 50 N 0.17 0.00 0.39 1.42 0.87 -2.03 -0.31 113.55 114.05 2kay h SER 50 Ca 0.59 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 2kay h SER 50 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2kay h SER 50 CO -0.70 0.00 -0.39 -1.20 -0.53 0.00 0.00 176.83 174.01 2kay n SER 51 N -2.38 0.72 0.02 6.23 7.64 0.00 -4.62 113.62 121.23 2kay n SER 51 Ca -0.00 -0.53 -0.16 0.00 1.01 0.00 0.00 58.87 59.19 2kay n SER 51 Cb 0.11 0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.37 2kay n SER 51 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2kay h ILE 52 N 0.52 0.86 0.00 0.44 2.04 -1.16 -3.28 117.51 116.94 2kay h ILE 52 Ca 0.00 -2.59 -0.05 0.00 1.00 0.00 0.00 64.86 63.21 2kay h ILE 52 Cb 0.50 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2kay h ILE 52 CO 0.00 0.76 -0.26 0.44 0.00 0.00 0.00 178.15 179.09 2kay h ASP 53 N 0.05 0.00 -0.24 1.72 5.19 -1.82 0.30 116.42 121.62 2kay h ASP 53 Ca -0.32 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.99 2kay h ASP 53 Cb 2.02 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.53 2kay h ASP 53 CO 0.11 0.26 -0.21 -0.78 -3.12 0.00 0.00 179.24 175.49 2kay h ASP 54 N 0.00 0.60 -0.55 6.45 1.82 -1.88 -2.06 116.42 120.81 2kay h ASP 54 Ca -0.00 -0.46 -0.02 0.00 -0.39 0.00 0.00 57.03 56.15 2kay h ASP 54 Cb 0.64 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 2kay h ASP 54 CO 0.03 0.94 0.26 0.25 -1.61 0.00 0.00 179.24 179.11 2kay h LEU 55 N 0.27 0.73 -0.02 2.28 5.85 -1.28 0.37 115.31 123.51 2kay h LEU 55 Ca 0.04 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2kay h LEU 55 Cb 0.76 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 2kay h LEU 55 CO 0.05 0.66 -0.25 -0.03 -0.34 0.00 0.00 178.44 178.54 2kay h MET 56 N 0.75 -0.36 -0.80 1.25 4.05 -0.54 0.24 114.93 119.51 2kay h MET 56 Ca 0.19 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.76 2kay h MET 56 Cb 0.13 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.96 2kay h MET 56 CO -0.02 -0.24 0.52 -0.22 0.23 0.00 0.00 176.91 177.18 2kay h LYS 57 N -0.38 0.56 0.06 0.39 3.11 -0.89 0.67 116.57 120.08 2kay h LYS 57 Ca 0.07 -0.03 -0.29 0.00 -2.81 0.00 0.00 60.65 57.58 2kay h LYS 57 Cb 0.47 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 2kay h LYS 57 CO -0.24 0.37 -1.58 0.77 -2.81 0.00 0.00 179.45 175.96 2kay h SER 58 N 0.58 0.19 -0.29 4.20 0.02 -0.33 -3.32 113.55 114.59 2kay h SER 58 Ca 0.39 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2kay h SER 58 Cb 0.69 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2kay h SER 58 CO -0.15 1.27 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.48 2kay h LEU 59 N 0.03 0.73 -5.57 5.07 -0.00 -0.38 -3.38 115.31 111.82 2kay h LEU 59 Ca -0.25 -0.46 -0.55 0.00 -0.00 0.00 0.00 57.88 56.62 2kay h LEU 59 Cb 1.98 -0.21 0.02 0.00 -0.00 0.00 0.00 40.66 42.45 2kay h LEU 59 CO 0.12 1.04 2.98 -0.67 -0.00 0.00 0.00 178.44 181.91 2kay n ASP 60 N -4.29 5.43 0.00 -0.43 2.03 0.21 -4.65 116.55 114.86 2kay n ASP 60 Ca -0.04 -2.52 0.07 0.00 0.52 0.00 0.00 54.79 52.83 2kay n ASP 60 Cb 0.46 -1.30 0.39 0.00 -0.72 0.00 0.00 41.12 39.94 2kay n ASP 60 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kay n LYS 61 N 4.77 0.25 0.00 -0.67 0.00 -1.26 -0.54 118.16 120.71 2kay n LYS 61 Ca 0.56 0.13 0.05 0.00 0.00 0.00 0.00 58.31 59.05 2kay n LYS 61 Cb 0.24 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.76 2kay n LYS 61 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2kay n ASN 62 N -1.25 1.11 -3.22 3.14 6.94 -1.26 -5.07 115.26 115.65 2kay n ASN 62 Ca 0.08 -1.06 -0.10 0.00 -0.02 0.00 0.00 54.58 53.48 2kay n ASN 62 Cb 0.11 0.57 0.04 0.00 -2.36 0.00 0.00 39.78 38.14 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 -0.43 -7.00 0.00 0.53 2.88 0.30 -5.02 113.62 104.88 2kay n SER 63 Ca 0.04 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2kay n SER 63 Cb 0.21 -5.02 0.00 0.00 -0.75 0.00 0.00 64.21 58.65 2kay n SER 63 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kay n ASP 64 N -2.55 0.00 0.00 -3.46 5.75 -1.26 -5.10 116.55 109.92 2kay n ASP 64 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 2kay n ASP 64 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2kay n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kay n GLN 65 N -0.12 0.00 -4.42 0.11 10.64 -1.26 -5.16 117.38 117.17 2kay n GLN 65 Ca 0.00 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.96 2kay n GLN 65 Cb 0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 2kay n GLN 65 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2kay s GLU 66 N -0.22 1.54 -0.49 2.61 2.02 -1.26 -3.97 118.70 118.94 2kay s GLU 66 Ca 0.00 -1.75 -0.11 0.00 0.02 0.00 0.00 54.97 53.13 2kay s GLU 66 Cb 0.00 -1.26 0.12 0.00 0.10 0.00 0.00 34.13 33.09 2kay s GLU 66 CO 0.00 0.11 0.39 0.42 0.02 0.00 0.00 175.26 176.20 2kay s ILE 67 N -2.91 4.49 0.91 -1.63 -1.09 -0.30 -4.90 121.20 115.76 2kay s ILE 67 Ca 0.28 -1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 56.89 2kay s ILE 67 Cb 0.02 -3.93 0.14 0.00 -1.58 0.00 0.00 42.46 37.11 2kay s ILE 67 CO 0.11 -0.80 1.10 -1.81 -1.23 0.00 0.00 174.94 172.31 2kay s ASP 68 N 2.92 3.22 0.30 3.58 1.01 -1.26 -0.89 116.67 125.56 2kay s ASP 68 Ca 0.05 1.75 0.06 0.00 0.71 0.00 0.00 52.55 55.12 2kay s ASP 68 Cb -0.27 -2.37 0.80 0.00 1.01 0.00 0.00 42.92 42.08 2kay s ASP 68 CO 0.00 -2.84 1.69 0.15 0.21 0.00 0.00 175.17 174.38 2kay h PHE 69 N -1.68 0.68 -0.01 4.23 3.04 -1.95 0.10 116.94 121.34 2kay h PHE 69 Ca -0.48 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.40 2kay h PHE 69 Cb 1.27 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.62 2kay h PHE 69 CO 0.46 -0.08 -0.53 -0.22 -2.02 0.00 0.00 178.31 175.92 2kay h LYS 70 N 0.38 0.04 0.26 1.11 3.11 -1.92 -0.69 116.57 118.85 2kay h LYS 70 Ca 0.59 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.40 2kay h LYS 70 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2kay h LYS 70 CO -0.56 0.56 -0.13 0.93 -2.81 0.00 0.00 179.45 177.45 2kay h GLU 71 N 0.03 -0.34 -0.97 1.90 5.08 -1.16 -3.32 114.58 115.80 2kay h GLU 71 Ca -0.00 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.59 2kay h GLU 71 Cb 0.95 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.18 2kay h GLU 71 CO 0.07 0.01 0.62 -0.92 -1.00 0.00 0.00 179.01 177.79 2kay h TYR 72 N -0.76 0.79 0.00 4.33 3.20 -0.92 0.19 116.97 123.80 2kay h TYR 72 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kay h TYR 72 Cb 0.50 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2kay h TYR 72 CO 0.04 0.17 0.00 -1.13 -1.64 0.00 0.00 178.16 175.60 2kay n SER 73 N -4.64 0.65 0.08 -2.11 3.41 -0.28 -2.05 113.62 108.69 2kay n SER 73 Ca 0.22 0.71 -0.05 0.00 -0.26 0.00 0.00 58.87 59.49 2kay n SER 73 Cb 0.67 -0.83 0.12 0.00 -0.26 0.00 0.00 64.21 63.91 2kay n SER 73 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2kay h VAL 74 N 0.00 1.38 0.21 -3.33 2.07 -0.74 -2.32 116.25 113.52 2kay h VAL 74 Ca 0.00 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.57 2kay h VAL 74 Cb 0.23 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2kay h VAL 74 CO 0.00 0.58 -0.26 0.15 0.02 0.00 0.00 177.57 178.06 2kay h PHE 75 N 0.20 -0.71 -0.04 1.57 3.57 -1.52 -0.44 116.94 119.57 2kay h PHE 75 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2kay h PHE 75 Cb 1.10 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2kay h PHE 75 CO 0.02 -0.38 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.47 2kay h LEU 76 N -0.53 0.05 0.06 0.59 3.38 -1.59 -1.71 115.31 115.57 2kay h LEU 76 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kay h LEU 76 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kay h LEU 76 CO -0.09 0.24 -0.03 0.74 0.09 0.00 0.00 178.44 179.39 2kay h THR 77 N 0.06 1.20 -0.53 0.22 2.02 -1.14 -0.46 112.91 114.28 2kay h THR 77 Ca 0.01 -0.90 0.10 0.00 0.77 0.00 0.00 66.41 66.39 2kay h THR 77 Cb 0.36 1.78 -0.08 0.00 -1.74 0.00 0.00 68.15 68.47 2kay h THR 77 CO 0.02 0.22 0.04 0.24 0.37 0.00 0.00 175.52 176.42 2kay h MET 78 N -0.49 0.16 -0.09 6.66 2.86 -0.61 0.74 114.93 124.16 2kay h MET 78 Ca -0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2kay h MET 78 Cb 0.43 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2kay h MET 78 CO 0.01 0.10 0.01 -0.07 1.06 0.00 0.00 176.91 178.03 2kay h LEU 79 N 0.16 0.14 -1.27 1.22 3.38 -1.38 -2.23 115.31 115.33 2kay h LEU 79 Ca 0.27 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2kay h LEU 79 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2kay h LEU 79 CO -0.41 0.38 -0.12 0.00 0.09 0.00 0.00 178.44 178.38 2kay h MET 81 N 0.33 0.41 -0.54 0.00 2.86 -0.87 -2.93 114.93 114.18 2kay h MET 81 Ca 0.06 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2kay h MET 81 Cb 0.42 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2kay h MET 81 CO 0.02 0.44 0.17 0.00 1.06 0.00 0.00 176.91 178.61 2kay h ALA 82 N 0.94 0.70 0.00 6.32 0.00 -0.68 -2.67 119.26 123.87 2kay h ALA 82 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kay h ALA 82 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kay h ALA 82 CO -0.01 0.36 -0.15 1.88 0.00 0.00 0.00 179.25 181.33 2kay h TYR 83 N 0.74 0.00 -0.29 0.00 -1.99 -1.00 -0.64 116.97 113.79 2kay h TYR 83 Ca 0.17 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.76 2kay h TYR 83 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2kay h TYR 83 CO 0.02 0.15 -0.39 -0.97 -0.00 0.00 0.00 178.16 176.97 2kay h ASN 84 N 0.00 0.73 -0.08 3.88 -0.73 -1.28 -1.49 115.58 116.61 2kay h ASN 84 Ca -0.00 -0.33 -0.04 0.00 1.87 0.00 0.00 56.30 57.80 2kay h ASN 84 Cb 0.39 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 2kay h ASN 84 CO 0.02 1.04 -0.12 -0.78 -0.37 0.00 0.00 177.43 177.22 2kay h ASP 85 N 0.57 0.25 -0.54 1.15 3.58 -1.36 -3.30 116.42 116.78 2kay h ASP 85 Ca 0.05 -0.53 0.10 0.00 0.42 0.00 0.00 57.03 57.07 2kay h ASP 85 Cb 0.93 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.83 2kay h ASP 85 CO 0.08 0.73 0.09 0.15 -2.88 0.00 0.00 179.24 177.41 2kay h PHE 86 N -0.21 0.14 -0.76 0.28 3.04 -1.14 -0.89 116.94 117.40 2kay h PHE 86 Ca 0.01 0.03 0.17 0.00 3.98 0.00 0.00 57.97 62.17 2kay h PHE 86 Cb 0.67 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 2kay h PHE 86 CO 0.10 -0.04 0.52 0.35 -2.02 0.00 0.00 178.31 177.22 2kay h PHE 87 N 0.22 0.35 0.00 0.41 3.57 -1.34 -1.24 116.94 118.91 2kay h PHE 87 Ca 0.28 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2kay h PHE 87 Cb 0.40 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2kay h PHE 87 CO -0.25 0.12 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.62 2kay h LEU 88 N 0.29 0.00 -0.34 0.59 3.38 -1.23 -1.72 115.31 116.27 2kay h LEU 88 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2kay h LEU 88 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kay h LEU 88 CO -0.10 0.07 -0.65 -0.62 0.09 0.00 0.00 178.44 177.24 2kay n GLU 89 N -3.04 0.45 -0.06 1.13 -0.58 -0.63 -4.63 120.64 113.27 2kay n GLU 89 Ca 0.03 -0.34 -0.13 0.00 -0.42 0.00 0.00 57.16 56.29 2kay n GLU 89 Cb 0.56 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.90 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 -0.98 1.29 -2.81 1.62 2.03 -0.56 -4.64 116.55 112.50 2kay n ASP 90 Ca 0.07 0.21 -0.29 0.00 0.52 0.00 0.00 54.79 55.31 2kay n ASP 90 Cb 0.37 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 40.19 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 -3.84 7.32 0.00 1.67 5.03 -0.65 -5.08 115.26 119.72 2kay n ASN 91 Ca -0.24 -2.64 0.02 0.00 0.87 0.00 0.00 54.58 52.60 2kay n ASN 91 Cb 0.58 -1.47 0.15 0.00 -1.02 0.00 0.00 39.78 38.02 2kay n ASN 91 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72