#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 1.77 0.53 3.17 0.41 -1.26 -5.07 118.70 118.25 2kay s GLU 2 Ca 0.00 -0.11 -0.21 0.00 -0.41 0.00 0.00 54.97 54.24 2kay s GLU 2 Cb 0.00 -2.00 -0.07 0.00 -1.78 0.00 0.00 34.13 30.29 2kay s GLU 2 CO 0.00 -1.66 1.08 -2.37 -0.49 0.00 0.00 175.26 171.82 2kay n THR 3 N -3.29 3.31 0.22 3.63 5.66 -1.26 -4.90 114.28 117.64 2kay n THR 3 Ca 0.10 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.71 2kay n THR 3 Cb 0.61 -1.29 0.56 0.00 -1.55 0.00 0.00 70.33 68.66 2kay n THR 3 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2kay n PRO 4 N -0.63 0.15 0.08 1.09 -0.04 -1.26 -1.88 135.00 132.51 2kay n PRO 4 Ca 0.11 0.59 -0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2kay n PRO 4 Cb 0.44 -1.94 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.30 1.53 6.46 -1.98 -1.58 115.31 119.85 2kay h LEU 5 Ca 0.00 -0.36 0.01 0.00 -0.12 0.00 0.00 57.88 57.40 2kay h LEU 5 Cb 0.09 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2kay h LEU 5 CO 0.00 1.19 0.19 -0.08 -0.62 0.00 0.00 178.44 179.13 2kay h GLU 6 N 0.15 0.38 -0.07 1.25 4.22 -1.74 0.55 114.58 119.33 2kay h GLU 6 Ca -0.08 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.36 2kay h GLU 6 Cb 1.65 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 2kay h GLU 6 CO 0.16 0.25 0.06 0.87 -2.18 0.00 0.00 179.01 178.18 2kay h LYS 7 N 0.40 0.00 -0.01 1.92 1.79 -1.40 0.23 116.57 119.50 2kay h LYS 7 Ca 0.11 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2kay h LYS 7 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2kay h LYS 7 CO -0.03 0.00 -0.14 0.00 -1.08 0.00 0.00 179.45 178.20 2kay h ALA 8 N 1.94 0.03 -0.77 3.86 0.00 -0.36 -0.72 119.26 123.24 2kay h ALA 8 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2kay h ALA 8 Cb 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2kay h ALA 8 CO -0.00 -0.01 0.48 -0.07 0.00 0.00 0.00 179.25 179.65 2kay h LEU 9 N -0.58 0.76 0.00 0.00 3.38 -0.37 -0.23 115.31 118.28 2kay h LEU 9 Ca -0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2kay h LEU 9 Cb 0.88 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2kay h LEU 9 CO 0.03 0.51 -0.11 0.74 0.09 0.00 0.00 178.44 179.71 2kay h THR 10 N 0.90 0.73 -0.61 0.22 2.02 -0.65 -0.35 112.91 115.18 2kay h THR 10 Ca 0.32 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.52 2kay h THR 10 Cb 0.08 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2kay h THR 10 CO -0.14 0.00 0.38 0.74 0.37 0.00 0.00 175.52 176.87 2kay h THR 11 N -0.18 1.08 0.51 3.16 2.02 -0.58 0.22 112.91 119.14 2kay h THR 11 Ca 0.04 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2kay h THR 11 Cb 0.23 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2kay h THR 11 CO -0.10 0.14 -0.46 -0.03 0.37 0.00 0.00 175.52 175.44 2kay h MET 12 N 0.74 -0.93 0.00 6.66 -1.53 -0.91 -2.11 114.93 116.85 2kay h MET 12 Ca 0.24 0.06 -0.05 0.00 -3.44 0.00 0.00 59.70 56.52 2kay h MET 12 Cb 0.01 0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.27 2kay h MET 12 CO -0.10 -0.62 -0.22 -0.24 0.14 0.00 0.00 176.91 175.87 2kay h VAL 13 N -0.96 0.82 0.85 -5.77 3.04 -0.73 -0.29 116.25 113.21 2kay h VAL 13 Ca -0.06 -0.88 -0.04 0.00 -1.01 0.00 0.00 66.70 64.71 2kay h VAL 13 Cb 0.83 1.53 0.01 0.00 -2.01 0.00 0.00 31.29 31.65 2kay h VAL 13 CO -0.03 0.22 -0.41 0.74 -1.01 0.00 0.00 177.57 177.08 2kay h THR 14 N 0.00 0.00 -0.04 3.17 2.02 -0.39 0.14 112.91 117.81 2kay h THR 14 Ca -0.00 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 2kay h THR 14 Cb 0.51 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2kay h THR 14 CO 0.03 0.00 -0.65 0.00 0.37 0.00 0.00 175.52 175.27 2kay h THR 15 N -1.18 1.43 0.03 3.16 1.03 -1.27 -1.95 112.91 114.16 2kay h THR 15 Ca -0.12 -2.14 -0.00 0.00 -0.01 0.00 0.00 66.41 64.15 2kay h THR 15 Cb 0.88 2.12 0.00 0.00 -1.07 0.00 0.00 68.15 70.08 2kay h THR 15 CO 0.19 0.62 -0.02 0.15 -0.01 0.00 0.00 175.52 176.46 2kay h PHE 16 N 0.11 -0.04 0.00 0.00 3.57 -1.09 -1.91 116.94 117.59 2kay h PHE 16 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kay h PHE 16 Cb 1.17 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2kay h PHE 16 CO 0.02 0.22 0.00 1.25 -2.23 0.00 0.00 178.31 177.56 2kay h HIS 17 N -0.30 0.00 0.20 0.41 2.76 -0.86 0.85 115.15 118.21 2kay h HIS 17 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2kay h HIS 17 Cb 0.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2kay h HIS 17 CO 0.01 0.00 -0.09 0.87 -1.30 0.00 0.00 177.93 177.42 2kay h LYS 18 N 0.00 -0.25 -0.04 5.26 1.57 -1.25 -3.25 116.57 118.60 2kay h LYS 18 Ca 0.00 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2kay h LYS 18 Cb 0.41 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2kay h LYS 18 CO 0.00 0.12 -0.71 1.88 -0.57 0.00 0.00 179.45 180.17 2kay h TYR 19 N -0.71 0.30 0.00 -1.35 0.05 -0.49 -2.89 116.97 111.88 2kay h TYR 19 Ca -0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 2kay h TYR 19 Cb 0.49 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2kay h TYR 19 CO 0.05 0.85 -0.09 0.66 -1.05 0.00 0.00 178.16 178.59 2kay h SER 20 N 0.15 0.00 0.16 3.88 4.64 -1.04 -2.20 113.55 119.13 2kay h SER 20 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2kay h SER 20 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2kay h SER 20 CO 0.11 0.09 -0.10 0.61 -0.87 0.00 0.00 176.83 176.67 2kay n GLY 21 N -0.32 -0.53 0.29 -0.77 0.00 -1.11 -4.05 105.19 98.70 2kay n GLY 21 Ca -0.01 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 1.30 0.00 0.00 1.61 9.65 -1.20 -3.44 114.38 122.30 2kay h ARG 22 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 2kay h ARG 22 Cb 0.41 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 2kay h ARG 22 CO 0.00 0.00 0.10 0.39 2.80 0.00 0.00 179.97 183.26 2kay n GLU 23 N -2.95 0.86 -0.79 0.20 1.02 -1.26 -4.92 120.64 112.81 2kay n GLU 23 Ca -0.01 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 2kay n GLU 23 Cb 0.15 2.45 0.00 0.00 -0.02 0.00 0.00 31.44 34.02 2kay n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kay n GLY 24 N -0.49 0.00 1.79 0.62 0.00 -1.26 -4.52 105.19 101.33 2kay n GLY 24 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kay n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kay n SER 25 N 1.39 -9.41 -0.00 1.61 2.88 -1.26 -4.57 113.62 104.25 2kay n SER 25 Ca 0.00 1.36 0.14 0.00 -1.33 0.00 0.00 58.87 59.04 2kay n SER 25 Cb 0.01 -5.28 0.61 0.00 -0.75 0.00 0.00 64.21 58.80 2kay n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kay n LYS 26 N -0.42 0.03 0.15 -1.46 5.02 -1.26 -3.70 118.16 116.52 2kay n LYS 26 Ca 0.00 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2kay n LYS 26 Cb 0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 2kay n LYS 26 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2kay h LEU 27 N 0.00 0.86 -8.83 -0.35 3.38 -1.88 -3.37 115.31 105.12 2kay h LEU 27 Ca 0.00 -0.92 -0.64 0.00 0.09 0.00 0.00 57.88 56.42 2kay h LEU 27 Cb 0.49 -0.28 -0.22 0.00 0.09 0.00 0.00 40.66 40.74 2kay h LEU 27 CO 0.00 1.72 -0.85 0.42 0.09 0.00 0.00 178.44 179.81 2kay s THR 28 N -2.62 2.06 -0.21 0.22 -4.23 -1.24 -3.88 115.64 105.74 2kay s THR 28 Ca -0.09 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2kay s THR 28 Cb 0.04 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 2kay s THR 28 CO 0.95 0.02 -0.06 -1.48 -0.54 0.00 0.00 174.62 173.52 2kay s LEU 29 N -2.03 2.84 1.02 4.79 2.34 -0.90 -4.61 118.68 122.13 2kay s LEU 29 Ca 0.11 -0.40 -0.12 0.00 0.06 0.00 0.00 54.13 53.78 2kay s LEU 29 Cb -0.10 -1.71 0.20 0.00 -0.56 0.00 0.00 46.19 44.02 2kay s LEU 29 CO 0.05 -0.00 1.09 -0.94 -1.06 0.00 0.00 176.35 175.49 2kay s SER 30 N 1.37 2.42 0.58 1.48 1.04 -1.26 -2.59 113.70 116.74 2kay s SER 30 Ca 0.04 1.23 0.30 0.00 0.48 0.00 0.00 55.95 58.00 2kay s SER 30 Cb -0.14 -1.90 1.43 0.00 0.10 0.00 0.00 66.02 65.50 2kay s SER 30 CO -0.03 -3.26 1.82 -0.09 0.98 0.00 0.00 173.24 172.65 2kay h ARG 31 N -1.98 0.00 0.00 4.02 2.43 -1.98 0.21 114.38 117.08 2kay h ARG 31 Ca -0.55 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.32 2kay h ARG 31 Cb 1.33 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.83 2kay h ARG 31 CO 0.57 0.00 -2.04 0.36 -1.51 0.00 0.00 179.97 177.35 2kay n LYS 32 N -3.78 0.66 0.12 0.20 0.00 -1.26 -1.87 118.16 112.23 2kay n LYS 32 Ca 0.13 0.10 -0.13 0.00 -0.00 0.00 0.00 58.31 58.41 2kay n LYS 32 Cb 0.87 -1.64 -0.06 0.00 -0.00 0.00 0.00 35.03 34.19 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 -0.30 -0.50 -1.58 5.08 -1.57 -1.09 114.58 114.62 2kay h GLU 33 Ca -0.38 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2kay h GLU 33 Cb 2.00 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 31.27 2kay h GLU 33 CO 0.04 -0.20 0.25 1.25 -1.00 0.00 0.00 179.01 179.35 2kay h LEU 34 N -0.31 0.34 -0.46 1.33 6.46 -0.79 -0.10 115.31 121.79 2kay h LEU 34 Ca 0.00 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.63 2kay h LEU 34 Cb 0.29 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2kay h LEU 34 CO -0.03 0.24 -0.46 0.50 -0.62 0.00 0.00 178.44 178.06 2kay h LYS 35 N 0.48 0.76 -0.24 1.25 3.64 -1.31 -0.29 116.57 120.86 2kay h LYS 35 Ca 0.22 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2kay h LYS 35 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2kay h LYS 35 CO -0.17 1.06 0.16 1.49 -2.27 0.00 0.00 179.45 179.72 2kay h GLU 36 N 0.60 0.31 0.62 1.90 4.81 -1.00 -0.13 114.58 121.70 2kay h GLU 36 Ca 0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2kay h GLU 36 Cb 1.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2kay h GLU 36 CO 0.10 0.21 -0.50 1.25 -0.73 0.00 0.00 179.01 179.34 2kay h LEU 37 N 0.32 -1.34 0.37 1.64 6.46 -0.72 -1.18 115.31 120.86 2kay h LEU 37 Ca 0.09 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2kay h LEU 37 Cb -0.03 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2kay h LEU 37 CO -0.02 -0.71 -0.18 0.40 -0.62 0.00 0.00 178.44 177.32 2kay h ILE 38 N -1.09 0.64 0.00 4.05 2.04 -1.12 0.20 117.51 122.23 2kay h ILE 38 Ca -0.08 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2kay h ILE 38 Cb 0.92 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2kay h ILE 38 CO 0.00 0.06 0.00 1.17 0.00 0.00 0.00 178.15 179.39 2kay n LYS 39 N -5.23 0.11 -0.09 2.37 4.81 -0.06 0.10 118.16 120.17 2kay n LYS 39 Ca -0.10 0.16 -0.15 0.00 -0.87 0.00 0.00 58.31 57.35 2kay n LYS 39 Cb 0.26 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 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 -1.41 0.52 0.07 1.64 5.02 -0.45 -3.44 118.16 120.12 2kay n LYS 40 Ca 0.06 0.53 -0.06 0.00 -2.02 0.00 0.00 58.31 56.83 2kay n LYS 40 Cb 0.18 -1.71 0.11 0.00 -0.02 0.00 0.00 35.03 33.59 2kay n LYS 40 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kay h GLU 41 N -1.00 0.28 -2.39 1.97 4.39 -0.81 -2.92 114.58 114.10 2kay h GLU 41 Ca -0.22 -0.19 -0.69 0.00 0.34 0.00 0.00 59.36 58.60 2kay h GLU 41 Cb 0.99 0.03 -0.36 0.00 -0.10 0.00 0.00 28.75 29.31 2kay h GLU 41 CO -0.13 0.80 0.03 1.28 -1.16 0.00 0.00 179.01 179.83 2kay n LEU 42 N -3.88 5.29 -1.38 1.33 4.77 0.11 -4.91 117.00 118.34 2kay n LEU 42 Ca -0.03 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.50 2kay n LEU 42 Cb 0.62 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2kay n LEU 42 CO 0.45 2.06 0.62 0.00 -1.33 0.00 0.00 177.39 179.18 2kay s LEU 44 N 0.00 3.45 0.45 0.00 1.43 -1.26 -5.02 118.68 117.73 2kay s LEU 44 Ca 0.00 -0.19 0.23 0.00 -1.03 0.00 0.00 54.13 53.14 2kay s LEU 44 Cb 0.00 -2.78 1.06 0.00 0.03 0.00 0.00 46.19 44.50 2kay s LEU 44 CO 0.00 -0.97 1.91 1.23 0.23 0.00 0.00 176.35 178.75 2kay h GLY 45 N 0.33 0.00 1.41 -3.19 0.00 -2.02 -2.40 103.07 97.20 2kay h GLY 45 Ca -0.41 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.94 2kay h GLY 45 CO 0.49 0.00 0.34 0.83 0.00 0.00 0.00 176.54 178.20 2kay h GLU 46 N 0.00 0.57 -2.88 4.80 3.07 -1.95 -3.34 114.58 114.85 2kay h GLU 46 Ca -0.00 -0.03 -0.78 0.00 -0.50 0.00 0.00 59.36 58.04 2kay h GLU 46 Cb 0.60 -0.13 -0.22 0.00 -0.84 0.00 0.00 28.75 28.16 2kay h GLU 46 CO 0.03 0.38 1.45 -1.33 -1.40 0.00 0.00 179.01 178.14 2kay n MET 47 N -4.47 4.47 -1.43 2.33 2.81 -0.90 -4.70 117.12 115.23 2kay n MET 47 Ca 0.05 -4.12 -0.31 0.00 -1.81 0.00 0.00 57.70 51.52 2kay n MET 47 Cb 0.13 -2.63 0.08 0.00 -0.71 0.00 0.00 33.22 30.09 2kay n MET 47 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2kay s LYS 48 N -1.99 2.28 0.25 0.03 -2.85 -1.26 -4.89 119.74 111.32 2kay s LYS 48 Ca 0.39 0.91 -0.03 0.00 -1.00 0.00 0.00 55.97 56.24 2kay s LYS 48 Cb 0.11 -1.92 0.51 0.00 -2.06 0.00 0.00 37.83 34.48 2kay s LYS 48 CO -0.00 -1.55 1.70 1.49 0.10 0.00 0.00 175.35 177.08 2kay h GLU 49 N -1.05 0.32 0.00 1.78 4.57 -1.98 0.13 114.58 118.34 2kay h GLU 49 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2kay h GLU 49 Cb 1.24 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2kay h GLU 49 CO 0.56 0.21 0.00 0.77 -1.18 0.00 0.00 179.01 179.37 2kay h SER 50 N 0.33 0.00 1.04 1.04 0.02 -1.96 0.30 113.55 114.32 2kay h SER 50 Ca 0.44 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.22 2kay h SER 50 Cb 0.76 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 2kay h SER 50 CO -0.50 0.00 -1.02 0.28 -1.14 0.00 0.00 176.83 174.46 2kay h SER 51 N 0.00 0.00 0.75 3.07 0.02 -1.25 -3.35 113.55 112.79 2kay h SER 51 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2kay h SER 51 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2kay h SER 51 CO 0.00 0.72 -1.20 0.40 -1.14 0.00 0.00 176.83 175.61 2kay h ILE 52 N 0.00 1.52 0.54 3.27 2.04 -0.87 -3.08 117.51 120.92 2kay h ILE 52 Ca -0.08 -3.16 -0.03 0.00 1.00 0.00 0.00 64.86 62.59 2kay h ILE 52 Cb 1.62 2.87 0.01 0.00 -0.74 0.00 0.00 36.82 40.57 2kay h ILE 52 CO 0.08 0.90 -0.26 -0.78 0.00 0.00 0.00 178.15 178.09 2kay h ASP 53 N 0.04 -0.61 0.46 1.72 3.58 -1.35 -0.30 116.42 119.97 2kay h ASP 53 Ca -0.10 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 2kay h ASP 53 Cb 1.90 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 43.10 2kay h ASP 53 CO 0.17 -0.37 -0.21 0.44 -2.88 0.00 0.00 179.24 176.39 2kay h ASP 54 N -0.82 0.00 -0.28 2.28 3.32 -1.71 -0.84 116.42 118.36 2kay h ASP 54 Ca -0.07 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.82 2kay h ASP 54 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2kay h ASP 54 CO 0.12 0.21 -0.41 0.25 -1.72 0.00 0.00 179.24 177.68 2kay h LEU 55 N 0.00 0.90 -0.06 1.55 6.46 -1.44 0.17 115.31 122.90 2kay h LEU 55 Ca -0.00 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2kay h LEU 55 Cb 0.49 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2kay h LEU 55 CO 0.03 1.19 0.02 -0.03 -0.62 0.00 0.00 178.44 179.03 2kay h MET 56 N 0.68 0.05 0.00 1.25 4.05 -0.43 -0.56 114.93 119.98 2kay h MET 56 Ca 0.05 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2kay h MET 56 Cb 0.99 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.78 2kay h MET 56 CO 0.10 0.04 -0.09 0.87 0.23 0.00 0.00 176.91 178.05 2kay h LYS 57 N 0.06 0.00 0.22 0.39 1.57 -0.97 0.30 116.57 118.13 2kay h LYS 57 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 2kay h LYS 57 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 2kay h LYS 57 CO -0.02 0.09 -1.50 1.03 -0.57 0.00 0.00 179.45 178.49 2kay h SER 58 N 0.00 0.72 0.12 0.86 0.87 -0.46 -3.38 113.55 112.28 2kay h SER 58 Ca -0.00 -0.82 -0.19 0.00 -1.23 0.00 0.00 61.79 59.54 2kay h SER 58 Cb 0.37 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kay h SER 58 CO 0.01 1.65 -0.91 -0.07 -0.53 0.00 0.00 176.83 176.99 2kay h LEU 59 N 0.13 0.39 -5.50 2.23 3.38 -0.84 -3.39 115.31 111.71 2kay h LEU 59 Ca -0.25 -0.92 -0.63 0.00 0.09 0.00 0.00 57.88 56.17 2kay h LEU 59 Cb 2.12 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.76 2kay h LEU 59 CO 0.24 1.42 3.29 -0.67 0.09 0.00 0.00 178.44 182.82 2kay n ASP 60 N -4.13 6.14 0.31 -0.43 2.03 0.10 -4.68 116.55 115.90 2kay n ASP 60 Ca -0.17 -2.61 0.19 0.00 0.52 0.00 0.00 54.79 52.72 2kay n ASP 60 Cb 0.81 -1.46 1.04 0.00 -0.72 0.00 0.00 41.12 40.78 2kay n ASP 60 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kay h LYS 61 N 5.79 0.00 -0.06 -0.67 1.79 -1.78 0.14 116.57 121.78 2kay h LYS 61 Ca 0.68 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 2kay h LYS 61 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2kay h LYS 61 CO 1.77 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 180.41 2kay n ASN 62 N -3.38 2.40 -1.99 0.86 6.94 -1.26 -5.03 115.26 113.79 2kay n ASN 62 Ca -0.02 -1.69 -0.19 0.00 -0.02 0.00 0.00 54.58 52.66 2kay n ASN 62 Cb 0.15 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.89 -5.42 -0.36 0.53 2.88 0.03 -4.88 113.62 107.30 2kay n SER 63 Ca 0.10 0.10 0.12 0.00 -1.33 0.00 0.00 58.87 57.85 2kay n SER 63 Cb 0.40 -4.50 0.52 0.00 -0.75 0.00 0.00 64.21 59.89 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 -1.48 1.09 0.00 -3.46 5.75 -1.26 -4.89 116.55 112.29 2kay n ASP 64 Ca -0.22 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 2kay n ASP 64 Cb 0.66 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 2kay n ASP 64 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2kay n GLN 65 N -0.10 -0.10 -5.21 0.11 7.27 -1.26 -5.01 117.38 113.09 2kay n GLN 65 Ca 0.17 0.02 -0.32 0.00 0.07 0.00 0.00 57.00 56.95 2kay n GLN 65 Cb 0.26 -3.30 -0.17 0.00 2.41 0.00 0.00 30.24 29.44 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 -0.41 2.89 -0.37 3.69 2.02 -1.26 -3.83 118.70 121.42 2kay s GLU 66 Ca 0.00 -0.88 -0.06 0.00 0.02 0.00 0.00 54.97 54.05 2kay s GLU 66 Cb 0.00 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 32.02 2kay s GLU 66 CO 0.00 0.26 0.16 0.42 0.02 0.00 0.00 175.26 176.12 2kay s ILE 67 N 0.15 3.72 0.74 -1.63 1.09 -1.07 -4.83 121.20 119.37 2kay s ILE 67 Ca -0.13 -1.42 -0.12 0.00 -1.10 0.00 0.00 60.65 57.89 2kay s ILE 67 Cb -0.16 -3.25 0.04 0.00 -1.06 0.00 0.00 42.46 38.03 2kay s ILE 67 CO 0.07 -0.36 1.12 -0.62 -0.10 0.00 0.00 174.94 175.04 2kay s ASP 68 N 1.69 5.13 0.37 3.58 2.15 -1.26 -2.11 116.67 126.22 2kay s ASP 68 Ca 0.01 1.04 0.19 0.00 0.43 0.00 0.00 52.55 54.22 2kay s ASP 68 Cb -0.21 -1.75 1.16 0.00 -0.30 0.00 0.00 42.92 41.82 2kay s ASP 68 CO 0.01 -1.53 1.68 0.15 -0.17 0.00 0.00 175.17 175.31 2kay h PHE 69 N -0.79 0.78 0.00 -5.34 3.04 -1.97 0.36 116.94 113.02 2kay h PHE 69 Ca -0.45 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.49 2kay h PHE 69 Cb 1.28 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 2kay h PHE 69 CO 0.45 -0.12 -0.17 0.87 -2.02 0.00 0.00 178.31 177.32 2kay h LYS 70 N 0.30 0.00 0.04 1.11 1.79 -1.94 -1.89 116.57 115.97 2kay h LYS 70 Ca 0.72 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.90 2kay h LYS 70 Cb 1.82 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.44 2kay h LYS 70 CO -0.49 0.17 -1.56 0.39 -1.08 0.00 0.00 179.45 176.88 2kay n GLU 71 N -3.90 0.62 -0.07 3.15 1.02 0.13 -4.61 120.64 116.98 2kay n GLU 71 Ca -0.02 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.66 2kay n GLU 71 Cb 0.26 -1.72 0.44 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.69 0.53 0.00 -0.32 3.20 -0.26 -2.41 116.97 117.02 2kay h TYR 72 Ca -0.40 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2kay h TYR 72 Cb 1.54 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2kay h TYR 72 CO 0.08 0.29 0.04 1.03 -1.64 0.00 0.00 178.16 177.96 2kay h SER 73 N 0.54 0.00 0.40 -2.11 0.87 -1.59 0.11 113.55 111.77 2kay h SER 73 Ca 0.24 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2kay h SER 73 Cb 0.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2kay h SER 73 CO -0.07 0.00 -0.15 0.58 -0.53 0.00 0.00 176.83 176.67 2kay h VAL 74 N 0.00 0.64 0.23 2.23 2.07 -1.74 -2.15 116.25 117.54 2kay h VAL 74 Ca 0.00 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2kay h VAL 74 Cb 0.07 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2kay h VAL 74 CO 0.00 0.14 -0.11 0.15 0.02 0.00 0.00 177.57 177.77 2kay h PHE 75 N 0.00 -0.28 -0.98 1.57 3.57 -0.98 -0.25 116.94 119.59 2kay h PHE 75 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2kay h PHE 75 Cb 0.39 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 2kay h PHE 75 CO 0.00 -0.06 0.64 -0.07 -2.23 0.00 0.00 178.31 176.59 2kay h LEU 76 N -0.47 1.05 0.21 0.59 3.38 -1.61 -1.71 115.31 116.76 2kay h LEU 76 Ca -0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kay h LEU 76 Cb 0.35 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kay h LEU 76 CO 0.05 0.71 -0.10 0.74 0.09 0.00 0.00 178.44 179.93 2kay h THR 77 N 1.21 0.84 -0.58 0.22 2.02 -1.25 0.31 112.91 115.69 2kay h THR 77 Ca 0.40 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.37 2kay h THR 77 Cb 0.06 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 2kay h THR 77 CO -0.14 0.07 0.26 0.24 0.37 0.00 0.00 175.52 176.32 2kay h MET 78 N -0.43 0.48 0.05 6.66 2.86 -0.55 0.30 114.93 124.29 2kay h MET 78 Ca -0.03 -0.03 -0.27 0.00 -2.06 0.00 0.00 59.70 57.32 2kay h MET 78 Cb 0.33 -0.11 0.02 0.00 0.06 0.00 0.00 31.60 31.90 2kay h MET 78 CO 0.05 0.31 -1.07 -0.07 1.06 0.00 0.00 176.91 177.20 2kay h LEU 79 N 0.49 0.86 -1.15 1.22 3.38 -1.34 -1.68 115.31 117.09 2kay h LEU 79 Ca 0.27 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2kay h LEU 79 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2kay h LEU 79 CO -0.23 1.53 0.22 0.00 0.09 0.00 0.00 178.44 180.06 2kay h MET 81 N 0.81 1.10 -0.28 0.00 2.86 -0.90 -1.59 114.93 116.94 2kay h MET 81 Ca 0.19 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2kay h MET 81 Cb 0.17 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2kay h MET 81 CO -0.02 0.96 0.05 0.00 1.06 0.00 0.00 176.91 178.96 2kay h ALA 82 N 1.15 0.37 -0.44 6.32 0.00 -0.61 -2.10 119.26 123.94 2kay h ALA 82 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kay h ALA 82 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kay h ALA 82 CO -0.00 0.05 0.02 1.88 0.00 0.00 0.00 179.25 181.20 2kay h TYR 83 N 0.27 0.74 -0.33 0.00 0.05 -1.15 -2.35 116.97 114.21 2kay h TYR 83 Ca 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2kay h TYR 83 Cb 0.33 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 2kay h TYR 83 CO 0.02 0.68 0.17 -0.97 -1.05 0.00 0.00 178.16 177.02 2kay h ASN 84 N 0.67 0.42 -0.30 3.88 -1.24 -1.16 -2.12 115.58 115.73 2kay h ASN 84 Ca 0.14 -0.10 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 2kay h ASN 84 Cb 0.38 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2kay h ASN 84 CO 0.01 0.40 -0.19 -0.78 -1.29 0.00 0.00 177.43 175.58 2kay h ASP 85 N 0.40 0.77 -0.03 1.15 3.58 -1.26 -2.54 116.42 118.50 2kay h ASP 85 Ca 0.11 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.34 2kay h ASP 85 Cb 0.08 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 2kay h ASP 85 CO -0.02 0.95 -0.31 0.15 -2.88 0.00 0.00 179.24 177.14 2kay h PHE 86 N 0.68 -0.84 -0.06 0.28 3.04 -1.38 -2.83 116.94 115.83 2kay h PHE 86 Ca 0.10 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 2kay h PHE 86 Cb 0.68 0.37 -0.00 0.00 2.56 0.00 0.00 35.95 39.56 2kay h PHE 86 CO 0.03 -0.40 -0.00 0.35 -2.02 0.00 0.00 178.31 176.28 2kay h PHE 87 N -0.44 0.08 0.00 0.41 3.04 -1.13 0.24 116.94 119.14 2kay h PHE 87 Ca 0.07 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2kay h PHE 87 Cb 0.54 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.02 2kay h PHE 87 CO -0.34 0.09 0.00 -0.07 -2.02 0.00 0.00 178.31 175.97 2kay h LEU 88 N 0.09 0.00 0.00 0.59 3.38 -1.21 -2.93 115.31 115.23 2kay h LEU 88 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2kay h LEU 88 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kay h LEU 88 CO 0.00 0.00 -1.96 -0.62 0.09 0.00 0.00 178.44 175.95 2kay n GLU 89 N -2.36 0.66 0.13 1.13 -0.58 -0.07 -4.54 120.64 115.01 2kay n GLU 89 Ca 0.03 -0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.70 2kay n GLU 89 Cb 0.33 -1.59 0.15 0.00 -0.57 0.00 0.00 31.44 29.77 2kay n GLU 89 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kay h ASP 90 N 0.00 0.05 -0.98 1.62 3.32 -1.03 -3.34 116.42 116.06 2kay h ASP 90 Ca -0.20 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.24 2kay h ASP 90 Cb 1.48 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.71 2kay h ASP 90 CO 0.02 0.66 0.71 0.59 -1.72 0.00 0.00 179.24 179.50 2kay n ASN 91 N -3.81 5.46 -0.78 6.45 3.02 -1.12 -5.09 115.26 119.40 2kay n ASN 91 Ca -0.01 -3.70 0.10 0.00 -0.03 0.00 0.00 54.58 50.94 2kay n ASN 91 Cb 0.62 -0.89 0.08 0.00 -0.61 0.00 0.00 39.78 38.99 2kay n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93