#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khp n PRO 2 N 0.00 -2.52 -0.49 1.61 -0.04 -1.26 -5.01 135.00 127.28 2khp n PRO 2 Ca 0.00 -1.24 -0.27 0.00 -0.04 0.00 0.00 63.50 61.95 2khp n PRO 2 Cb 0.00 -1.16 0.21 0.00 -0.04 0.00 0.00 33.50 32.51 2khp n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2khp n GLY 3 N -2.65 -2.76 0.71 0.55 0.00 -1.26 -4.94 105.19 94.84 2khp n GLY 3 Ca 0.11 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 45.09 2khp n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2khp n SER 4 N -3.07 2.38 -3.60 1.61 2.88 -1.26 -4.89 113.62 107.68 2khp n SER 4 Ca 0.05 -3.58 -0.06 0.00 -1.33 0.00 0.00 58.87 53.95 2khp n SER 4 Cb 0.53 -0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 63.40 2khp n SER 4 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2khp s MET 5 N -3.11 0.35 0.03 -1.46 1.75 -0.60 -4.71 119.30 111.54 2khp s MET 5 Ca 0.39 0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.87 2khp s MET 5 Cb 0.36 0.17 -0.02 0.00 2.84 0.00 0.00 34.83 38.17 2khp s MET 5 CO -0.01 -0.12 -0.05 0.14 -0.65 0.00 0.00 175.02 174.34 2khp s VAL 6 N -1.39 0.25 -0.01 10.11 -7.23 -1.24 -4.94 120.40 115.94 2khp s VAL 6 Ca 0.04 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2khp s VAL 6 Cb -0.01 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 2khp s VAL 6 CO -0.03 -0.48 1.48 -0.62 -0.31 0.00 0.00 175.10 175.14 2khp s ASP 7 N -1.54 6.79 -0.13 4.85 2.15 -1.26 -4.76 116.67 122.77 2khp s ASP 7 Ca -0.14 2.16 -0.04 0.00 0.43 0.00 0.00 52.55 54.96 2khp s ASP 7 Cb -0.10 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 2khp s ASP 7 CO -0.01 -0.79 0.01 -0.69 -0.17 0.00 0.00 175.17 173.53 2khp s VAL 8 N 2.85 4.38 -0.04 1.11 1.01 -1.26 -3.15 120.40 125.31 2khp s VAL 8 Ca 0.66 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2khp s VAL 8 Cb -0.32 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2khp s VAL 8 CO 0.27 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 175.18 2khp s ILE 9 N -0.31 0.96 -0.08 2.22 1.01 -0.56 -0.05 121.20 124.38 2khp s ILE 9 Ca 0.07 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2khp s ILE 9 Cb -0.12 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 2khp s ILE 9 CO 0.02 0.30 -0.19 -0.51 0.00 0.00 0.00 174.94 174.55 2khp s ILE 10 N 0.27 2.54 -0.29 2.92 2.07 0.51 -0.76 121.20 128.45 2khp s ILE 10 Ca -0.05 -0.88 -0.05 0.00 -1.41 0.00 0.00 60.65 58.26 2khp s ILE 10 Cb -0.11 -1.99 0.02 0.00 0.13 0.00 0.00 42.46 40.52 2khp s ILE 10 CO 0.01 0.56 0.05 -0.31 -1.91 0.00 0.00 174.94 173.34 2khp s TYR 11 N -0.06 3.16 0.05 3.50 1.51 0.19 -1.31 117.35 124.39 2khp s TYR 11 Ca -0.05 -1.29 -0.09 0.00 -1.01 0.00 0.00 57.07 54.63 2khp s TYR 11 Cb -0.14 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 2khp s TYR 11 CO 0.04 -0.67 0.19 -0.08 -1.11 0.00 0.00 175.55 173.93 2khp s THR 12 N 1.42 0.12 0.26 -0.71 -1.32 -0.57 -1.18 115.64 113.65 2khp s THR 12 Ca 0.00 -0.95 0.07 0.00 -1.21 0.00 0.00 61.69 59.60 2khp s THR 12 Cb -0.18 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 2khp s THR 12 CO 0.01 -0.53 0.23 0.00 -2.21 0.00 0.00 174.62 172.12 2khp s ARG 13 N -2.81 2.97 -0.44 7.08 1.70 -1.26 -3.96 118.95 122.23 2khp s ARG 13 Ca -0.03 -1.04 -0.28 0.00 -0.47 0.00 0.00 55.73 53.91 2khp s ARG 13 Cb 0.00 -2.60 -0.01 0.00 -0.57 0.00 0.00 34.95 31.76 2khp s ARG 13 CO -0.05 0.36 1.76 -1.25 -1.08 0.00 0.00 175.30 175.04 2khp s PRO 14 N -3.89 3.12 0.00 3.89 0.04 -1.26 -2.63 135.00 134.28 2khp s PRO 14 Ca 0.34 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2khp s PRO 14 Cb -0.08 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2khp s PRO 14 CO 0.26 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2khp n GLY 15 N 5.47 1.53 3.51 0.56 0.00 -1.26 -5.09 105.19 109.91 2khp n GLY 15 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2khp n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp h PRO 17 N 8.64 -0.07 -0.06 0.00 0.13 -1.99 -2.65 132.00 136.00 2khp h PRO 17 Ca -0.27 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.88 2khp h PRO 17 Cb 1.12 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2khp h PRO 17 CO 0.78 0.39 0.05 1.88 -0.23 0.00 0.00 178.00 180.87 2khp h TYR 18 N -0.56 0.00 -0.19 1.56 0.05 -2.00 -1.91 116.97 113.91 2khp h TYR 18 Ca -0.01 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.62 2khp h TYR 18 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2khp h TYR 18 CO 0.09 0.00 -0.47 0.00 -1.05 0.00 0.00 178.16 176.73 2khp h ALA 20 N 0.59 1.94 0.12 0.00 0.00 -0.97 -1.54 119.26 119.39 2khp h ALA 20 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2khp h ALA 20 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2khp h ALA 20 CO 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.27 2khp h ARG 21 N 0.41 -0.16 -0.55 0.00 2.47 -1.45 0.23 114.38 115.34 2khp h ARG 21 Ca 0.21 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.89 2khp h ARG 21 Cb 0.32 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2khp h ARG 21 CO -0.05 -0.08 0.14 0.00 0.56 0.00 0.00 179.97 180.54 2khp h ALA 22 N 0.68 0.72 0.59 0.04 0.00 -1.47 0.91 119.26 120.73 2khp h ALA 22 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2khp h ALA 22 Cb 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2khp h ALA 22 CO 0.03 0.41 -0.28 0.87 0.00 0.00 0.00 179.25 180.27 2khp h LYS 23 N 0.77 -0.76 -0.77 0.00 1.57 -1.14 0.37 116.57 116.61 2khp h LYS 23 Ca 0.17 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2khp h LYS 23 Cb 0.33 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2khp h LYS 23 CO 0.00 -0.46 0.50 0.00 -0.57 0.00 0.00 179.45 178.92 2khp h ALA 24 N -0.59 1.44 -0.37 3.86 0.00 -0.55 -0.33 119.26 122.73 2khp h ALA 24 Ca -0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2khp h ALA 24 Cb 0.65 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2khp h ALA 24 CO 0.13 0.51 -0.16 1.25 0.00 0.00 0.00 179.25 180.99 2khp h LEU 25 N 1.04 0.67 -0.35 0.00 5.85 -0.70 -1.03 115.31 120.80 2khp h LEU 25 Ca 0.28 -0.21 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 2khp h LEU 25 Cb -0.11 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 2khp h LEU 25 CO -0.06 0.84 -0.77 -0.07 -0.34 0.00 0.00 178.44 178.04 2khp h LEU 26 N 0.60 0.51 -0.73 2.25 3.38 -0.17 -3.12 115.31 118.04 2khp h LEU 26 Ca 0.10 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2khp h LEU 26 Cb 0.62 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2khp h LEU 26 CO 0.04 1.10 -0.40 0.00 0.09 0.00 0.00 178.44 179.28 2khp h ALA 27 N 0.88 0.91 0.00 1.53 0.00 -0.89 -2.01 119.26 119.68 2khp h ALA 27 Ca -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2khp h ALA 27 Cb 1.36 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2khp h ALA 27 CO 0.13 0.49 -0.04 -0.09 0.00 0.00 0.00 179.25 179.75 2khp h ARG 28 N 0.00 0.00 -0.22 0.00 2.43 -1.12 -0.17 114.38 115.30 2khp h ARG 28 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khp h ARG 28 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2khp h ARG 28 CO 0.05 0.04 0.00 0.36 -1.51 0.00 0.00 179.97 178.91 2khp n LYS 29 N -3.83 2.24 -0.01 0.20 2.85 -1.14 -4.94 118.16 113.53 2khp n LYS 29 Ca -0.03 -2.03 0.00 0.00 -1.05 0.00 0.00 58.31 55.21 2khp n LYS 29 Cb 0.13 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 2khp n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2khp n GLY 30 N 1.30 1.96 3.57 2.58 0.00 -0.08 -4.98 105.19 109.55 2khp n GLY 30 Ca 0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.66 2khp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp n ALA 31 N -0.68 0.73 -2.19 4.61 0.00 -0.77 -4.93 120.51 117.29 2khp n ALA 31 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 2khp n ALA 31 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 2khp n ALA 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2khp s GLU 32 N 5.04 4.18 0.06 0.00 0.41 -1.26 -4.19 118.70 122.94 2khp s GLU 32 Ca 1.03 0.76 -0.21 0.00 -0.41 0.00 0.00 54.97 56.13 2khp s GLU 32 Cb -0.86 -2.94 0.05 0.00 -1.78 0.00 0.00 34.13 28.60 2khp s GLU 32 CO 0.54 0.45 0.50 -0.59 -0.49 0.00 0.00 175.26 175.66 2khp s PHE 33 N -1.46 -0.38 -0.22 1.61 -0.12 -1.26 -4.49 117.98 111.67 2khp s PHE 33 Ca 0.40 0.35 -0.22 0.00 -0.05 0.00 0.00 56.93 57.41 2khp s PHE 33 Cb -0.17 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 2khp s PHE 33 CO 0.20 -0.66 0.71 1.21 -0.05 0.00 0.00 175.22 176.64 2khp s ASN 34 N -2.14 6.74 -0.30 1.98 2.47 0.93 -4.87 114.94 119.76 2khp s ASN 34 Ca -0.04 0.91 -0.25 0.00 0.42 0.00 0.00 52.86 53.90 2khp s ASN 34 Cb -0.00 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2khp s ASN 34 CO -0.04 -0.37 0.86 -0.70 -3.72 0.00 0.00 177.10 173.13 2khp s GLU 35 N 2.29 4.02 0.04 0.43 2.12 -1.26 -0.37 118.70 125.97 2khp s GLU 35 Ca 0.31 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.42 2khp s GLU 35 Cb -0.16 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 2khp s GLU 35 CO 0.10 -0.70 -0.09 0.42 -0.54 0.00 0.00 175.26 174.45 2khp s ILE 36 N 3.08 0.65 0.07 -3.70 1.01 -0.43 -4.99 121.20 116.90 2khp s ILE 36 Ca 0.36 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2khp s ILE 36 Cb -0.14 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 2khp s ILE 36 CO 0.12 -0.22 0.10 -1.81 0.00 0.00 0.00 174.94 173.12 2khp s ASP 37 N -1.28 5.66 -0.08 3.58 1.01 -1.25 -1.51 116.67 122.80 2khp s ASP 37 Ca -0.05 0.05 0.04 0.00 0.71 0.00 0.00 52.55 53.29 2khp s ASP 37 Cb -0.08 -1.56 -0.08 0.00 1.01 0.00 0.00 42.92 42.21 2khp s ASP 37 CO 0.01 0.18 -0.01 0.00 0.21 0.00 0.00 175.17 175.56 2khp n ALA 38 N 0.53 1.82 0.28 5.23 0.00 -1.26 -4.54 120.51 122.57 2khp n ALA 38 Ca -0.09 -0.43 0.18 0.00 0.00 0.00 0.00 53.44 53.09 2khp n ALA 38 Cb 0.52 0.17 0.89 0.00 0.00 0.00 0.00 19.45 21.02 2khp n ALA 38 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2khp h SER 39 N 0.00 0.00 -0.97 0.00 0.02 -1.88 -2.59 113.55 108.13 2khp h SER 39 Ca -0.19 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 60.95 2khp h SER 39 Cb 1.39 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.84 2khp h SER 39 CO -0.00 0.00 0.61 0.00 -1.14 0.00 0.00 176.83 176.30 2khp h ALA 40 N 2.02 1.87 -2.36 3.77 0.00 -1.97 -3.42 119.26 119.18 2khp h ALA 40 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2khp h ALA 40 Cb 0.10 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 2khp h ALA 40 CO 0.00 -0.21 -0.72 0.95 0.00 0.00 0.00 179.25 179.27 2khp s THR 41 N -5.70 1.09 0.09 0.00 -4.23 -0.98 -5.07 115.64 100.85 2khp s THR 41 Ca -0.10 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 2khp s THR 41 Cb 0.24 -1.72 -0.09 0.00 1.34 0.00 0.00 72.50 72.27 2khp s THR 41 CO 0.80 -0.71 1.42 1.55 -0.54 0.00 0.00 174.62 177.14 2khp h PRO 42 N 2.98 0.67 0.11 3.99 0.13 -1.82 -2.66 132.00 135.40 2khp h PRO 42 Ca -0.37 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2khp h PRO 42 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2khp h PRO 42 CO 0.61 0.96 -0.05 1.49 -0.23 0.00 0.00 178.00 180.77 2khp h GLU 43 N 0.40 -0.15 0.00 0.86 4.81 -1.97 0.75 114.58 119.29 2khp h GLU 43 Ca 0.04 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2khp h GLU 43 Cb 0.83 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 2khp h GLU 43 CO 0.07 -0.03 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.23 2khp h LEU 44 N -0.23 0.00 0.02 1.64 3.38 -1.78 -1.24 115.31 117.10 2khp h LEU 44 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 2khp h LEU 44 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2khp h LEU 44 CO 0.03 0.02 -1.32 -0.09 0.09 0.00 0.00 178.44 177.17 2khp h ARG 45 N 0.00 0.04 0.38 1.13 2.43 -1.03 -2.85 114.38 114.49 2khp h ARG 45 Ca -0.00 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2khp h ARG 45 Cb 0.06 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2khp h ARG 45 CO 0.00 0.86 -0.18 0.00 -1.51 0.00 0.00 179.97 179.14 2khp h ALA 46 N 0.91 -0.51 -0.16 2.80 0.00 0.34 0.25 119.26 122.89 2khp h ALA 46 Ca -0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2khp h ALA 46 Cb 1.89 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 2khp h ALA 46 CO 0.12 -0.64 -0.27 1.05 0.00 0.00 0.00 179.25 179.50 2khp h GLU 47 N -0.80 0.29 -0.11 0.00 4.11 -1.62 0.21 114.58 116.66 2khp h GLU 47 Ca -0.05 -0.10 -0.07 0.00 0.07 0.00 0.00 59.36 59.20 2khp h GLU 47 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2khp h GLU 47 CO 0.09 0.55 -0.20 1.98 0.07 0.00 0.00 179.01 181.49 2khp h MET 48 N 0.26 0.34 0.00 1.06 4.05 -1.47 -2.90 114.93 116.28 2khp h MET 48 Ca 0.04 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2khp h MET 48 Cb 0.62 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 2khp h MET 48 CO 0.04 0.80 0.00 -0.56 0.23 0.00 0.00 176.91 177.43 2khp h GLN 49 N -0.09 0.00 0.09 0.39 3.07 -0.40 -3.21 115.11 114.96 2khp h GLN 49 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2khp h GLN 49 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.34 2khp h GLN 49 CO 0.05 0.00 -0.04 1.49 0.09 0.00 0.00 178.83 180.41 2khp h GLU 50 N 0.00 -0.11 -0.52 0.06 4.81 -0.51 0.28 114.58 118.60 2khp h GLU 50 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2khp h GLU 50 Cb 0.73 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2khp h GLU 50 CO 0.00 0.40 0.29 0.00 -0.73 0.00 0.00 179.01 178.97 2khp h ARG 51 N -0.72 0.70 0.16 1.92 3.08 -1.58 -2.56 114.38 115.39 2khp h ARG 51 Ca -0.01 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 59.68 2khp h ARG 51 Cb 0.56 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.48 2khp h ARG 51 CO 0.02 0.51 -1.31 0.66 -1.07 0.00 0.00 179.97 178.79 2khp h SER 52 N 0.71 0.58 -0.12 7.04 4.64 -1.58 -3.48 113.55 121.34 2khp h SER 52 Ca 0.19 -0.61 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 2khp h SER 52 Cb 0.01 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 2khp h SER 52 CO -0.03 1.47 -0.05 0.61 -0.87 0.00 0.00 176.83 177.96 2khp n GLY 53 N 1.56 0.58 3.28 -0.77 0.00 0.98 -5.02 105.19 105.80 2khp n GLY 53 Ca -0.11 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 2khp n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khp s ARG 54 N -2.09 1.62 0.00 1.61 1.81 -1.17 -5.04 118.95 115.68 2khp s ARG 54 Ca 0.00 -1.93 0.00 0.00 -1.72 0.00 0.00 55.73 52.08 2khp s ARG 54 Cb 0.00 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2khp s ARG 54 CO 0.00 -0.56 0.73 0.09 -0.68 0.00 0.00 175.30 174.88 2khp n ASN 55 N -1.18 0.00 -3.65 0.23 3.02 -1.26 -4.71 115.26 107.72 2khp n ASN 55 Ca 0.05 0.73 -0.09 0.00 -0.03 0.00 0.00 54.58 55.24 2khp n ASN 55 Cb 0.64 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.50 2khp n ASN 55 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2khp s THR 56 N -1.92 -0.00 0.12 3.41 2.01 -1.26 -4.74 115.64 113.26 2khp s THR 56 Ca 0.00 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 2khp s THR 56 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2khp s THR 56 CO 0.00 0.00 0.20 0.72 -0.69 0.00 0.00 174.62 174.86 2khp s PHE 57 N 1.28 0.30 0.07 4.92 -0.71 -1.26 -5.09 117.98 117.48 2khp s PHE 57 Ca -0.07 -0.71 -0.31 0.00 -1.04 0.00 0.00 56.93 54.80 2khp s PHE 57 Cb -0.05 -0.10 -0.07 0.00 -1.21 0.00 0.00 43.02 41.59 2khp s PHE 57 CO -0.14 -0.59 1.39 -1.25 -1.34 0.00 0.00 175.22 173.29 2khp s PRO 58 N -3.91 4.31 -0.17 1.99 0.04 -1.26 -4.81 135.00 131.19 2khp s PRO 58 Ca 0.11 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 2khp s PRO 58 Cb 0.05 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2khp s PRO 58 CO -0.06 -0.49 0.01 -0.65 0.04 0.00 0.00 177.00 175.84 2khp s GLN 59 N 1.67 3.78 -0.38 4.56 1.11 -0.33 -3.00 119.66 127.07 2khp s GLN 59 Ca 0.64 -0.45 -0.01 0.00 0.01 0.00 0.00 55.36 55.55 2khp s GLN 59 Cb -0.34 -3.05 0.10 0.00 -1.01 0.00 0.00 33.01 28.71 2khp s GLN 59 CO 0.29 0.22 0.14 0.42 0.01 0.00 0.00 175.29 176.38 2khp s ILE 60 N 0.45 3.01 -0.38 1.08 1.09 0.61 -0.64 121.20 126.43 2khp s ILE 60 Ca -0.01 -2.05 -0.17 0.00 -1.10 0.00 0.00 60.65 57.32 2khp s ILE 60 Cb -0.14 -3.06 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 2khp s ILE 60 CO 0.02 -0.60 0.45 -0.36 -0.10 0.00 0.00 174.94 174.35 2khp s PHE 61 N 1.10 3.18 -0.30 3.97 0.08 0.06 -0.55 117.98 125.51 2khp s PHE 61 Ca 0.07 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 2khp s PHE 61 Cb -0.22 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.42 2khp s PHE 61 CO -0.05 -0.58 -0.01 0.42 -0.10 0.00 0.00 175.22 174.91 2khp s ILE 62 N 2.22 2.94 0.00 0.64 1.01 -0.55 -1.50 121.20 125.96 2khp s ILE 62 Ca 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.39 2khp s ILE 62 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.61 2khp s ILE 62 CO 0.13 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2khp n GLY 63 N 4.61 1.23 0.05 6.18 0.00 -1.19 -1.59 105.19 114.48 2khp n GLY 63 Ca -0.13 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2khp n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2khp n SER 64 N 10.33 2.09 -4.32 1.61 2.88 -1.25 -4.93 113.62 120.02 2khp n SER 64 Ca 0.00 -2.52 -0.25 0.00 -1.33 0.00 0.00 58.87 54.77 2khp n SER 64 Cb 0.00 -0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 63.12 2khp n SER 64 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2khp s VAL 65 N -1.89 1.89 -0.54 2.46 1.01 -0.62 -5.10 120.40 117.60 2khp s VAL 65 Ca 0.16 -1.65 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 2khp s VAL 65 Cb 0.14 -1.72 0.13 0.00 0.00 0.00 0.00 36.38 34.94 2khp s VAL 65 CO 0.01 -0.05 0.47 -2.28 0.00 0.00 0.00 175.10 173.26 2khp s HIS 66 N -1.23 3.36 0.00 5.22 2.46 -1.26 -1.48 115.29 122.35 2khp s HIS 66 Ca 0.10 -1.58 0.00 0.00 0.47 0.00 0.00 55.06 54.04 2khp s HIS 66 Cb -0.10 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 2khp s HIS 66 CO 0.05 -1.01 0.57 0.28 -2.47 0.00 0.00 174.74 172.16 2khp n VAL 67 N 4.99 0.00 0.00 0.89 0.31 0.28 -5.00 118.33 119.80 2khp n VAL 67 Ca -0.09 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 2khp n VAL 67 Cb 0.41 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2khp n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2khp n GLY 68 N -0.68 -0.56 0.00 2.92 0.00 -1.23 -4.89 105.19 100.75 2khp n GLY 68 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2khp n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khp n GLY 69 N 0.00 5.55 0.35 -0.02 0.00 -1.16 -0.28 105.19 109.63 2khp n GLY 69 Ca 0.00 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.09 2khp n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp h ASP 71 N 0.33 0.04 -0.16 0.00 3.58 -1.94 -1.40 116.42 116.87 2khp h ASP 71 Ca 0.27 -0.44 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 2khp h ASP 71 Cb 0.60 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2khp h ASP 71 CO -0.07 0.47 -0.28 0.44 -2.88 0.00 0.00 179.24 176.93 2khp h ASP 72 N -0.39 0.66 0.10 2.28 5.19 -1.72 0.48 116.42 123.02 2khp h ASP 72 Ca 0.00 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2khp h ASP 72 Cb 0.46 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2khp h ASP 72 CO 0.00 0.91 -0.05 0.25 -3.12 0.00 0.00 179.24 177.23 2khp h LEU 73 N 0.55 -0.12 -0.90 1.55 7.12 -0.39 0.25 115.31 123.37 2khp h LEU 73 Ca 0.07 -0.19 -0.11 0.00 0.13 0.00 0.00 57.88 57.78 2khp h LEU 73 Cb 0.77 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 2khp h LEU 73 CO 0.06 0.12 -0.47 1.88 -0.13 0.00 0.00 178.44 179.90 2khp h TYR 74 N -0.36 0.22 -0.02 1.25 -1.99 -1.24 -1.23 116.97 113.60 2khp h TYR 74 Ca -0.01 -0.06 -0.16 0.00 2.00 0.00 0.00 58.73 60.49 2khp h TYR 74 Cb 0.30 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2khp h TYR 74 CO -0.00 0.62 -0.73 0.00 -0.00 0.00 0.00 178.16 178.05 2khp h ALA 75 N 1.37 0.74 0.13 3.88 0.00 -0.78 -2.72 119.26 121.89 2khp h ALA 75 Ca 0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 54.91 54.00 2khp h ALA 75 Cb 0.89 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2khp h ALA 75 CO 0.07 0.85 -1.24 -0.07 0.00 0.00 0.00 179.25 178.86 2khp h LEU 76 N 0.08 0.54 -0.36 0.00 -0.00 -0.31 -3.28 115.31 111.98 2khp h LEU 76 Ca -0.02 -0.55 -0.04 0.00 -0.00 0.00 0.00 57.88 57.27 2khp h LEU 76 Cb 1.29 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2khp h LEU 76 CO 0.10 1.41 0.07 -0.08 -0.00 0.00 0.00 178.44 179.94 2khp h GLU 77 N 0.12 0.59 -0.19 1.13 4.81 -1.24 -0.47 114.58 119.33 2khp h GLU 77 Ca -0.15 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2khp h GLU 77 Cb 1.94 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 2khp h GLU 77 CO 0.21 0.65 0.20 0.22 -0.73 0.00 0.00 179.01 179.56 2khp h ASP 78 N 0.43 0.00 0.61 1.04 3.58 -1.58 0.73 116.42 121.23 2khp h ASP 78 Ca 0.11 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2khp h ASP 78 Cb 0.34 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2khp h ASP 78 CO 0.01 0.00 -1.41 -0.62 -2.88 0.00 0.00 179.24 174.33 2khp n GLU 79 N -3.86 0.63 -1.69 0.28 1.02 -0.94 -4.98 120.64 111.11 2khp n GLU 79 Ca 0.02 0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 2khp n GLU 79 Cb 0.32 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 2khp n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2khp n GLY 80 N 1.24 0.47 0.07 0.62 0.00 0.25 -4.92 105.19 102.92 2khp n GLY 80 Ca -0.03 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.37 2khp n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2khp n LYS 81 N -2.18 0.64 -0.31 1.61 4.76 -1.05 -4.22 118.16 117.40 2khp n LYS 81 Ca -0.07 0.02 0.15 0.00 -2.87 0.00 0.00 58.31 55.54 2khp n LYS 81 Cb 0.40 -1.68 0.39 0.00 -1.84 0.00 0.00 35.03 32.30 2khp n LYS 81 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2khp h LEU 82 N 0.00 0.65 -0.90 -0.35 5.85 -1.91 0.29 115.31 118.93 2khp h LEU 82 Ca -0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2khp h LEU 82 Cb 1.32 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 2khp h LEU 82 CO 0.02 0.25 0.58 0.44 -0.34 0.00 0.00 178.44 179.39 2khp h ASP 83 N 0.65 1.05 1.32 1.25 3.32 -1.91 -0.01 116.42 122.08 2khp h ASP 83 Ca 0.53 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.41 2khp h ASP 83 Cb 0.98 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2khp h ASP 83 CO -0.29 0.78 -0.69 0.28 -1.72 0.00 0.00 179.24 177.59 2khp h SER 84 N 1.23 0.00 0.05 6.45 0.02 -1.10 -2.60 113.55 117.60 2khp h SER 84 Ca 0.33 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.10 2khp h SER 84 Cb -0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2khp h SER 84 CO -0.07 0.62 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.54 2khp h LEU 85 N 0.00 0.65 0.00 5.07 -0.00 0.04 0.11 115.31 121.18 2khp h LEU 85 Ca -0.02 -0.38 -0.08 0.00 -0.00 0.00 0.00 57.88 57.40 2khp h LEU 85 Cb 1.49 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.95 2khp h LEU 85 CO 0.08 1.12 -0.59 0.17 -0.00 0.00 0.00 178.44 179.22 2khp h LEU 86 N 0.41 0.00 0.11 1.67 8.10 -1.08 0.24 115.31 124.76 2khp h LEU 86 Ca -0.01 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.74 2khp h LEU 86 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 2khp h LEU 86 CO 0.12 0.33 -1.17 0.11 -4.11 0.00 0.00 178.44 173.72 2khp h LYS 87 N 0.00 0.23 0.12 0.17 1.57 -1.40 -3.28 116.57 113.98 2khp h LYS 87 Ca -0.03 -0.39 -0.35 0.00 -1.87 0.00 0.00 60.65 58.01 2khp h LYS 87 Cb 1.28 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.72 2khp h LYS 87 CO 0.04 1.19 -1.91 1.79 -0.57 0.00 0.00 179.45 179.98 2khp h THR 88 N -0.40 0.72 0.00 -0.16 1.35 -0.90 -1.60 112.91 111.91 2khp h THR 88 Ca -0.25 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2khp h THR 88 Cb 1.66 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.63 2khp h THR 88 CO 0.06 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 2khp n GLY 89 N 1.92 0.79 3.55 5.82 0.00 0.83 -4.76 105.19 113.33 2khp n GLY 89 Ca -0.29 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2khp n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2khp s LYS 90 N -1.71 0.70 -0.14 1.61 0.00 -1.22 -3.94 119.74 115.05 2khp s LYS 90 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 55.97 55.88 2khp s LYS 90 Cb 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 37.83 38.12 2khp s LYS 90 CO 0.00 -0.26 0.12 -0.48 0.00 0.00 0.00 175.35 174.73 2khp s LEU 91 N -1.64 4.21 0.00 2.77 0.05 -1.26 -4.59 118.68 118.22 2khp s LEU 91 Ca 0.00 0.35 0.30 0.00 0.05 0.00 0.00 54.13 54.84 2khp s LEU 91 Cb -0.01 -2.04 1.81 0.00 -2.05 0.00 0.00 46.19 43.91 2khp s LEU 91 CO -0.02 0.34 2.14 -0.38 -0.55 0.00 0.00 176.35 177.88