#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 -1.24 -1.25 1.61 -0.04 -1.26 -4.97 135.00 127.85 2khp n PRO 2 Ca 0.00 -0.17 -0.35 0.00 -0.04 0.00 0.00 63.50 62.93 2khp n PRO 2 Cb 0.00 -0.16 0.09 0.00 -0.04 0.00 0.00 33.50 33.38 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 1.71 -0.93 0.02 0.55 0.00 -1.26 -4.95 105.19 100.34 2khp n GLY 3 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.27 2.16 -3.67 1.61 2.88 -1.26 -4.86 113.62 109.21 2khp n SER 4 Ca 0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 2khp n SER 4 Cb 0.50 1.29 -0.06 0.00 -0.75 0.00 0.00 64.21 65.18 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 -2.65 0.92 0.09 -1.46 1.75 -1.25 -4.79 119.30 111.91 2khp s MET 5 Ca -0.05 -0.41 0.05 0.00 -1.25 0.00 0.00 55.69 54.04 2khp s MET 5 Cb 0.06 0.41 -0.03 0.00 2.84 0.00 0.00 34.83 38.11 2khp s MET 5 CO 0.50 -0.32 -0.14 0.14 -0.65 0.00 0.00 175.02 174.55 2khp s VAL 6 N -2.60 1.19 -0.04 10.11 -7.23 -1.24 -5.01 120.40 115.58 2khp s VAL 6 Ca -0.04 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 2khp s VAL 6 Cb -0.01 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 2khp s VAL 6 CO -0.03 -0.34 1.40 -1.81 -0.31 0.00 0.00 175.10 174.01 2khp s ASP 7 N -2.11 6.86 -0.06 4.85 1.11 -1.26 -4.76 116.67 121.30 2khp s ASP 7 Ca 0.03 2.03 0.03 0.00 0.18 0.00 0.00 52.55 54.82 2khp s ASP 7 Cb -0.07 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 2khp s ASP 7 CO 0.02 -0.74 -0.11 -0.69 1.18 0.00 0.00 175.17 174.83 2khp s VAL 8 N 2.80 3.31 0.02 -1.27 1.01 -1.26 -2.75 120.40 122.26 2khp s VAL 8 Ca 0.63 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2khp s VAL 8 Cb -0.29 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2khp s VAL 8 CO 0.24 0.59 -0.09 -0.63 0.00 0.00 0.00 175.10 175.22 2khp s ILE 9 N -0.76 0.67 -0.02 2.22 1.01 -0.49 -1.62 121.20 122.20 2khp s ILE 9 Ca 0.12 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2khp s ILE 9 Cb -0.11 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.73 2khp s ILE 9 CO 0.01 -0.08 -0.09 -0.51 0.00 0.00 0.00 174.94 174.27 2khp s ILE 10 N -0.75 0.79 -0.23 2.92 2.07 -0.19 -0.84 121.20 124.97 2khp s ILE 10 Ca -0.02 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 58.82 2khp s ILE 10 Cb -0.06 -0.70 0.01 0.00 0.13 0.00 0.00 42.46 41.84 2khp s ILE 10 CO 0.00 0.24 -0.06 -0.31 -1.91 0.00 0.00 174.94 172.90 2khp s TYR 11 N 0.11 2.99 0.30 3.50 1.51 -0.55 -1.25 117.35 123.96 2khp s TYR 11 Ca -0.02 -1.28 0.01 0.00 -1.01 0.00 0.00 57.07 54.78 2khp s TYR 11 Cb -0.08 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.70 2khp s TYR 11 CO 0.00 -0.66 0.05 0.25 -1.11 0.00 0.00 175.55 174.09 2khp n THR 12 N 4.73 0.00 -3.57 -0.71 -2.24 -0.48 -1.46 114.28 110.55 2khp n THR 12 Ca -0.18 -1.55 -0.13 0.00 -2.27 0.00 0.00 64.05 59.92 2khp n THR 12 Cb 0.49 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 2khp n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khp s ARG 13 N -3.10 1.07 -0.07 -0.78 1.04 -1.26 -0.99 118.95 114.86 2khp s ARG 13 Ca 0.07 -0.35 -0.30 0.00 -1.04 0.00 0.00 55.73 54.12 2khp s ARG 13 Cb 0.00 0.49 -0.04 0.00 -2.04 0.00 0.00 34.95 33.35 2khp s ARG 13 CO 0.05 -0.40 1.50 -1.25 -0.04 0.00 0.00 175.30 175.16 2khp s PRO 14 N -2.83 4.21 0.00 3.89 0.04 -1.26 -2.93 135.00 136.11 2khp s PRO 14 Ca -0.03 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2khp s PRO 14 Cb -0.00 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2khp s PRO 14 CO -0.05 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2khp n GLY 15 N 3.90 0.98 3.15 0.56 0.00 -1.26 -5.07 105.19 107.44 2khp n GLY 15 Ca 0.16 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 7.99 0.07 -0.10 0.00 0.13 -1.98 -3.05 132.00 135.06 2khp h PRO 17 Ca -0.17 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2khp h PRO 17 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2khp h PRO 17 CO 0.59 0.53 0.16 1.88 -0.23 0.00 0.00 178.00 180.93 2khp h TYR 18 N -0.39 0.00 0.27 1.56 0.05 -2.00 -2.36 116.97 114.09 2khp h TYR 18 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2khp h TYR 18 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2khp h TYR 18 CO 0.09 0.00 -0.13 0.00 -1.05 0.00 0.00 178.16 177.07 2khp h ALA 20 N -0.58 1.04 -0.30 0.00 0.00 -1.37 -1.09 119.26 116.97 2khp h ALA 20 Ca -0.04 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2khp h ALA 20 Cb 0.49 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2khp h ALA 20 CO 0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 179.25 179.03 2khp h ARG 21 N 0.41 0.04 -0.03 0.00 2.47 -1.55 -0.84 114.38 114.87 2khp h ARG 21 Ca 0.42 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.14 2khp h ARG 21 Cb 0.65 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2khp h ARG 21 CO -0.42 0.02 -0.02 0.00 0.56 0.00 0.00 179.97 180.11 2khp h ALA 22 N 1.28 0.01 0.03 0.04 0.00 -1.10 -0.55 119.26 118.97 2khp h ALA 22 Ca 0.14 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2khp h ALA 22 Cb 0.21 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2khp h ALA 22 CO -0.28 -0.50 -0.36 0.87 0.00 0.00 0.00 179.25 178.98 2khp h LYS 23 N -0.02 -0.52 -0.97 0.00 1.57 -0.87 -0.76 116.57 115.02 2khp h LYS 23 Ca 0.02 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 2khp h LYS 23 Cb 0.05 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 2khp h LYS 23 CO -0.05 -0.34 0.62 0.00 -0.57 0.00 0.00 179.45 179.11 2khp h ALA 24 N 0.10 1.48 -0.47 3.86 0.00 -1.05 -0.48 119.26 122.70 2khp h ALA 24 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2khp h ALA 24 Cb 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2khp h ALA 24 CO -0.27 0.36 0.29 1.25 0.00 0.00 0.00 179.25 180.88 2khp h LEU 25 N 1.08 0.48 -0.78 0.00 5.85 -0.15 0.26 115.31 122.04 2khp h LEU 25 Ca 0.43 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.03 2khp h LEU 25 Cb 0.25 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2khp h LEU 25 CO -0.18 0.34 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.79 2khp h LEU 26 N 0.59 0.45 -0.70 2.25 3.38 -0.42 -2.82 115.31 118.04 2khp h LEU 26 Ca 0.18 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2khp h LEU 26 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2khp h LEU 26 CO -0.07 0.81 -0.40 0.00 0.09 0.00 0.00 178.44 178.88 2khp h ALA 27 N 1.21 0.90 -0.28 1.53 0.00 -0.56 -2.27 119.26 119.79 2khp h ALA 27 Ca 0.03 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.65 2khp h ALA 27 Cb 0.87 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2khp h ALA 27 CO 0.07 0.50 -0.22 -0.09 0.00 0.00 0.00 179.25 179.51 2khp h ARG 28 N 0.00 -0.19 0.00 0.00 2.43 -0.23 0.18 114.38 116.57 2khp h ARG 28 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2khp h ARG 28 Cb 1.02 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2khp h ARG 28 CO 0.05 -0.13 0.00 0.36 -1.51 0.00 0.00 179.97 178.74 2khp n LYS 29 N -5.37 0.09 0.00 0.20 2.85 -1.23 -4.87 118.16 109.83 2khp n LYS 29 Ca -0.00 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 2khp n LYS 29 Cb 0.28 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 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 0.72 0.21 3.57 2.58 0.00 0.62 -5.03 105.19 107.86 2khp n GLY 30 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.79 0.73 -1.99 4.61 0.00 -0.85 -4.91 120.51 116.30 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 16.92 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 4.34 -0.09 0.00 0.41 -1.26 -4.13 118.70 123.01 2khp s GLU 32 Ca 1.03 1.00 -0.22 0.00 -0.41 0.00 0.00 54.97 56.37 2khp s GLU 32 Cb -0.86 -2.80 0.05 0.00 -1.78 0.00 0.00 34.13 28.74 2khp s GLU 32 CO 0.54 0.33 0.52 -0.59 -0.49 0.00 0.00 175.26 175.57 2khp s PHE 33 N -1.61 -0.50 -0.21 1.61 -0.12 -1.26 -4.62 117.98 111.27 2khp s PHE 33 Ca 0.47 0.99 -0.29 0.00 -0.05 0.00 0.00 56.93 58.05 2khp s PHE 33 Cb -0.16 0.24 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 2khp s PHE 33 CO 0.21 -0.43 1.25 1.21 -0.05 0.00 0.00 175.22 177.41 2khp s ASN 34 N -0.71 6.88 -0.31 1.98 2.47 -0.64 -4.86 114.94 119.76 2khp s ASN 34 Ca -0.08 1.51 -0.24 0.00 0.42 0.00 0.00 52.86 54.46 2khp s ASN 34 Cb -0.03 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2khp s ASN 34 CO 0.05 -0.85 0.84 -0.70 -3.72 0.00 0.00 177.10 172.73 2khp s GLU 35 N 3.67 3.97 0.06 0.43 2.12 -1.26 -1.03 118.70 126.66 2khp s GLU 35 Ca 0.54 0.67 0.07 0.00 0.36 0.00 0.00 54.97 56.61 2khp s GLU 35 Cb -0.19 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2khp s GLU 35 CO 0.16 -0.73 -0.19 0.42 -0.54 0.00 0.00 175.26 174.38 2khp s ILE 36 N 3.09 1.57 0.23 -3.70 1.01 -0.38 -5.00 121.20 118.02 2khp s ILE 36 Ca 0.35 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2khp s ILE 36 Cb -0.14 -1.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 2khp s ILE 36 CO 0.13 0.09 0.57 -1.81 0.00 0.00 0.00 174.94 173.92 2khp s ASP 37 N -1.37 6.67 -0.07 3.58 1.01 -1.26 -1.38 116.67 123.84 2khp s ASP 37 Ca 0.06 0.98 0.01 0.00 0.71 0.00 0.00 52.55 54.31 2khp s ASP 37 Cb -0.09 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 2khp s ASP 37 CO 0.02 -0.07 -0.05 0.00 0.21 0.00 0.00 175.17 175.28 2khp n ALA 38 N -0.05 1.84 0.31 5.23 0.00 -0.16 -4.57 120.51 123.12 2khp n ALA 38 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.22 2khp n ALA 38 Cb 0.52 0.30 0.47 0.00 0.00 0.00 0.00 19.45 20.75 2khp n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2khp n SER 39 N -2.65 0.53 -0.23 0.00 2.88 -1.26 -2.76 113.62 110.14 2khp n SER 39 Ca -0.13 0.67 0.28 0.00 -1.33 0.00 0.00 58.87 58.37 2khp n SER 39 Cb 0.65 -0.77 0.69 0.00 -0.75 0.00 0.00 64.21 64.03 2khp n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2khp h ALA 40 N 2.19 2.79 -2.51 -1.46 0.00 -1.92 -3.42 119.26 114.93 2khp h ALA 40 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2khp h ALA 40 Cb 0.22 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.92 2khp h ALA 40 CO 0.00 -1.07 -0.39 0.95 0.00 0.00 0.00 179.25 178.74 2khp s THR 41 N -5.06 0.14 0.15 0.00 -4.23 -1.11 -5.06 115.64 100.46 2khp s THR 41 Ca -0.06 -1.14 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 2khp s THR 41 Cb 0.22 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 2khp s THR 41 CO 0.78 -0.63 1.49 1.55 -0.54 0.00 0.00 174.62 177.27 2khp h PRO 42 N 2.95 0.91 -0.08 3.99 0.13 -1.83 -2.72 132.00 135.35 2khp h PRO 42 Ca -0.34 -0.48 -0.05 0.00 -0.87 0.00 0.00 66.00 64.26 2khp h PRO 42 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2khp h PRO 42 CO 0.55 1.13 -0.14 0.93 -0.23 0.00 0.00 178.00 180.24 2khp h GLU 43 N 0.75 0.24 -0.84 0.86 3.07 -1.97 0.26 114.58 116.94 2khp h GLU 43 Ca 0.06 -0.15 0.11 0.00 -0.50 0.00 0.00 59.36 58.88 2khp h GLU 43 Cb 0.98 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.84 2khp h GLU 43 CO 0.09 0.73 0.55 -0.07 -1.40 0.00 0.00 179.01 178.91 2khp h LEU 44 N -0.22 0.70 0.07 1.33 3.38 -1.80 0.24 115.31 119.00 2khp h LEU 44 Ca 0.00 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 2khp h LEU 44 Cb 0.71 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2khp h LEU 44 CO 0.03 0.40 -1.46 -0.09 0.09 0.00 0.00 178.44 177.41 2khp h ARG 45 N 0.77 0.16 -0.40 1.13 2.43 -1.29 -3.12 114.38 114.05 2khp h ARG 45 Ca 0.39 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2khp h ARG 45 Cb 0.49 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2khp h ARG 45 CO -0.16 0.98 0.00 0.00 -1.51 0.00 0.00 179.97 179.28 2khp h ALA 46 N 0.68 0.54 -0.12 2.80 0.00 0.42 0.18 119.26 123.76 2khp h ALA 46 Ca -0.21 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2khp h ALA 46 Cb 1.97 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2khp h ALA 46 CO 0.14 0.32 -0.39 1.05 0.00 0.00 0.00 179.25 180.37 2khp h GLU 47 N 0.54 0.26 0.03 0.00 4.11 -0.70 -0.27 114.58 118.54 2khp h GLU 47 Ca 0.11 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2khp h GLU 47 Cb 0.48 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2khp h GLU 47 CO 0.02 0.62 -0.01 0.52 0.07 0.00 0.00 179.01 180.23 2khp h MET 48 N 0.22 -0.04 0.00 1.06 2.86 -1.45 -3.25 114.93 114.34 2khp h MET 48 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2khp h MET 48 Cb 0.80 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2khp h MET 48 CO 0.06 0.67 -0.11 -0.56 1.06 0.00 0.00 176.91 178.03 2khp h GLN 49 N -0.83 0.00 0.00 1.72 3.07 -0.66 -1.90 115.11 116.51 2khp h GLN 49 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 2khp h GLN 49 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.28 2khp h GLN 49 CO 0.01 0.11 -0.12 1.49 0.09 0.00 0.00 178.83 180.40 2khp h GLU 50 N 0.00 0.00 0.13 0.06 4.81 -1.08 0.53 114.58 119.03 2khp h GLU 50 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.92 2khp h GLU 50 Cb 0.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2khp h GLU 50 CO 0.01 0.12 -1.49 0.00 -0.73 0.00 0.00 179.01 176.93 2khp h ARG 51 N 0.00 0.28 0.17 1.92 3.08 -1.38 -3.35 114.38 115.11 2khp h ARG 51 Ca -0.00 -0.48 -0.30 0.00 0.07 0.00 0.00 59.98 59.28 2khp h ARG 51 Cb 0.56 0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.80 2khp h ARG 51 CO 0.02 1.16 -1.32 0.66 -1.07 0.00 0.00 179.97 179.42 2khp h SER 52 N 0.08 0.57 -0.19 7.04 4.64 -1.47 -3.48 113.55 120.74 2khp h SER 52 Ca -0.23 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2khp h SER 52 Cb 2.02 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2khp h SER 52 CO 0.18 1.48 0.00 0.61 -0.87 0.00 0.00 176.83 178.22 2khp n GLY 53 N 1.58 0.95 3.57 -0.77 0.00 0.16 -5.07 105.19 105.61 2khp n GLY 53 Ca -0.11 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.03 1.90 0.00 1.61 0.52 -1.20 -5.08 118.95 113.67 2khp s ARG 54 Ca 0.00 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2khp s ARG 54 Cb 0.00 0.48 0.00 0.00 0.52 0.00 0.00 34.95 35.95 2khp s ARG 54 CO 0.00 -0.81 0.70 0.27 0.02 0.00 0.00 175.30 175.48 2khp n ASN 55 N -1.20 0.00 -3.64 0.23 6.94 -1.26 -4.74 115.26 111.59 2khp n ASN 55 Ca -0.01 0.70 -0.08 0.00 -0.02 0.00 0.00 54.58 55.17 2khp n ASN 55 Cb 0.61 -0.20 -0.07 0.00 -2.36 0.00 0.00 39.78 37.76 2khp n ASN 55 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2khp s THR 56 N -1.81 0.00 0.13 5.53 2.01 -1.26 -4.77 115.64 115.47 2khp s THR 56 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2khp s THR 56 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2khp s THR 56 CO 0.00 0.00 0.21 0.72 -0.69 0.00 0.00 174.62 174.86 2khp s PHE 57 N 1.15 0.38 0.07 4.92 -0.71 -1.26 -5.10 117.98 117.43 2khp s PHE 57 Ca -0.06 -0.78 -0.31 0.00 -1.04 0.00 0.00 56.93 54.75 2khp s PHE 57 Cb -0.05 -0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.56 2khp s PHE 57 CO -0.13 -0.62 1.39 -1.25 -1.34 0.00 0.00 175.22 173.28 2khp s PRO 58 N -3.94 4.31 -0.16 1.99 0.04 -1.26 -4.88 135.00 131.11 2khp s PRO 58 Ca 0.13 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 2khp s PRO 58 Cb 0.05 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2khp s PRO 58 CO -0.04 -0.48 0.25 -0.65 0.04 0.00 0.00 177.00 176.12 2khp s GLN 59 N 1.55 4.15 -0.36 4.56 -1.52 -0.54 -3.37 119.66 124.14 2khp s GLN 59 Ca 0.64 0.03 0.02 0.00 -1.95 0.00 0.00 55.36 54.10 2khp s GLN 59 Cb -0.35 -3.39 0.10 0.00 -0.22 0.00 0.00 33.01 29.15 2khp s GLN 59 CO 0.29 0.32 0.09 0.42 -0.25 0.00 0.00 175.29 176.17 2khp s ILE 60 N 0.23 2.56 -0.26 1.08 -1.09 0.95 -1.48 121.20 123.20 2khp s ILE 60 Ca 0.15 -2.25 -0.12 0.00 -2.23 0.00 0.00 60.65 56.20 2khp s ILE 60 Cb -0.13 -2.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.86 2khp s ILE 60 CO 0.03 -0.62 0.22 -0.36 -1.23 0.00 0.00 174.94 172.98 2khp s PHE 61 N 0.97 3.26 -0.14 3.97 0.08 -0.02 -0.12 117.98 125.99 2khp s PHE 61 Ca 0.10 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.37 2khp s PHE 61 Cb -0.20 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 2khp s PHE 61 CO -0.07 -0.09 -0.13 0.42 -0.10 0.00 0.00 175.22 175.25 2khp s ILE 62 N 1.56 1.47 0.00 0.64 1.01 -0.55 -1.40 121.20 123.93 2khp s ILE 62 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2khp s ILE 62 Cb -0.15 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2khp s ILE 62 CO 0.09 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2khp n GLY 63 N 4.74 1.25 0.00 6.18 0.00 -1.11 -1.53 105.19 114.72 2khp n GLY 63 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2khp n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khp n SER 64 N 11.06 1.75 -4.34 1.61 7.64 -0.94 -4.81 113.62 125.59 2khp n SER 64 Ca 0.00 -1.89 -0.25 0.00 1.01 0.00 0.00 58.87 57.74 2khp n SER 64 Cb 0.00 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.07 2khp n SER 64 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2khp s VAL 65 N -0.89 1.96 -0.50 0.44 1.01 -0.58 -5.09 120.40 116.74 2khp s VAL 65 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.08 2khp s VAL 65 Cb 0.00 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.66 2khp s VAL 65 CO 0.00 -0.08 0.49 -2.28 0.00 0.00 0.00 175.10 173.24 2khp s HIS 66 N -1.36 3.18 0.00 5.22 2.46 -1.26 -1.48 115.29 122.04 2khp s HIS 66 Ca 0.12 -0.88 0.00 0.00 0.47 0.00 0.00 55.06 54.77 2khp s HIS 66 Cb -0.09 -3.41 0.00 0.00 -0.13 0.00 0.00 32.58 28.95 2khp s HIS 66 CO 0.06 -0.92 0.78 0.28 -2.47 0.00 0.00 174.74 172.47 2khp n VAL 67 N 5.34 0.00 0.00 0.89 0.31 0.83 -4.99 118.33 120.71 2khp n VAL 67 Ca -0.11 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.50 2khp n VAL 67 Cb 0.43 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.80 -1.09 0.00 2.92 0.00 -1.15 -4.94 105.19 100.13 2khp n GLY 68 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 3.93 0.28 -0.02 0.00 -1.22 -0.03 105.19 108.12 2khp n GLY 69 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 0.88 0.08 -0.46 0.00 3.32 -1.95 0.16 116.42 118.45 2khp h ASP 71 Ca 0.21 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2khp h ASP 71 Cb 0.17 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2khp h ASP 71 CO -0.02 0.17 -0.03 0.44 -1.72 0.00 0.00 179.24 178.09 2khp h ASP 72 N -0.02 0.81 -0.26 6.45 5.19 -1.89 -0.51 116.42 126.19 2khp h ASP 72 Ca 0.02 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 56.05 2khp h ASP 72 Cb 0.12 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 2khp h ASP 72 CO -0.00 0.94 -0.03 0.25 -3.12 0.00 0.00 179.24 177.28 2khp h LEU 73 N 0.67 0.57 -0.17 1.55 5.85 -0.40 0.23 115.31 123.60 2khp h LEU 73 Ca 0.13 -0.12 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2khp h LEU 73 Cb 0.54 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2khp h LEU 73 CO 0.03 0.66 -0.88 1.88 -0.34 0.00 0.00 178.44 179.78 2khp h TYR 74 N 0.56 0.83 -0.00 1.25 -1.99 -0.49 -0.56 116.97 116.58 2khp h TYR 74 Ca 0.11 -0.41 -0.17 0.00 2.00 0.00 0.00 58.73 60.26 2khp h TYR 74 Cb 0.40 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 2khp h TYR 74 CO 0.02 1.23 -0.80 0.00 -0.00 0.00 0.00 178.16 178.61 2khp h ALA 75 N 0.65 0.67 0.02 3.88 0.00 -0.83 -3.02 119.26 120.62 2khp h ALA 75 Ca -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 2khp h ALA 75 Cb 1.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2khp h ALA 75 CO 0.17 0.94 -0.12 -0.07 0.00 0.00 0.00 179.25 180.16 2khp h LEU 76 N 0.04 0.08 -1.87 0.00 -0.00 -0.56 -3.24 115.31 109.76 2khp h LEU 76 Ca -0.02 -0.94 0.15 0.00 -0.00 0.00 0.00 57.88 57.07 2khp h LEU 76 Cb 1.40 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 42.00 2khp h LEU 76 CO 0.11 1.01 0.41 1.05 -0.00 0.00 0.00 178.44 181.02 2khp h GLU 77 N -0.84 0.13 0.00 1.13 -0.00 -1.19 0.29 114.58 114.10 2khp h GLU 77 Ca -0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.36 59.26 2khp h GLU 77 Cb 1.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.76 2khp h GLU 77 CO 0.02 0.09 -0.36 0.22 -0.00 0.00 0.00 179.01 178.99 2khp h ASP 78 N 0.14 0.00 0.21 3.06 3.58 -1.60 -2.53 116.42 119.28 2khp h ASP 78 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2khp h ASP 78 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2khp h ASP 78 CO -0.04 0.36 -0.23 -0.62 -2.88 0.00 0.00 179.24 175.83 2khp n GLU 79 N -3.63 0.93 -1.97 0.28 1.02 0.96 -4.93 120.64 113.30 2khp n GLU 79 Ca -0.01 -0.54 -0.20 0.00 -0.02 0.00 0.00 57.16 56.39 2khp n GLU 79 Cb 0.47 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.32 0.72 0.07 0.62 0.00 -0.83 -4.83 105.19 102.26 2khp n GLY 80 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.63 0.58 -0.30 1.61 4.76 -1.22 -4.19 118.16 116.78 2khp n LYS 81 Ca -0.21 0.00 0.19 0.00 -2.87 0.00 0.00 58.31 55.42 2khp n LYS 81 Cb 0.66 -1.70 0.47 0.00 -1.84 0.00 0.00 35.03 32.62 2khp n LYS 81 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2khp h LEU 82 N 0.00 0.51 -0.88 -0.35 3.38 -1.88 0.14 115.31 116.22 2khp h LEU 82 Ca 0.00 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2khp h LEU 82 Cb 0.96 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2khp h LEU 82 CO 0.00 0.16 0.52 0.44 0.09 0.00 0.00 178.44 179.66 2khp h ASP 83 N 0.48 0.76 0.96 -0.43 3.32 -1.95 0.38 116.42 119.94 2khp h ASP 83 Ca 0.54 0.05 -0.22 0.00 0.02 0.00 0.00 57.03 57.42 2khp h ASP 83 Cb 1.23 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2khp h ASP 83 CO -0.26 0.43 -1.03 0.28 -1.72 0.00 0.00 179.24 176.93 2khp h SER 84 N 0.86 0.05 -0.58 6.45 0.02 -1.05 -2.21 113.55 117.08 2khp h SER 84 Ca 0.43 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 2khp h SER 84 Cb 0.39 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2khp h SER 84 CO -0.25 1.04 0.06 -0.07 -1.14 0.00 0.00 176.83 176.47 2khp h LEU 85 N 0.01 0.96 0.00 5.07 -0.00 -0.14 0.23 115.31 121.43 2khp h LEU 85 Ca -0.02 -0.28 -0.09 0.00 -0.00 0.00 0.00 57.88 57.49 2khp h LEU 85 Cb 1.79 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 42.18 2khp h LEU 85 CO 0.14 1.00 -0.63 0.17 -0.00 0.00 0.00 178.44 179.11 2khp h LEU 86 N 0.88 0.00 0.04 1.67 8.10 -1.04 0.25 115.31 125.21 2khp h LEU 86 Ca 0.17 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.09 2khp h LEU 86 Cb 0.47 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.70 2khp h LEU 86 CO 0.02 0.39 -0.30 0.11 -4.11 0.00 0.00 178.44 174.55 2khp h LYS 87 N 0.00 0.14 0.13 0.17 1.57 -1.18 -3.28 116.57 114.12 2khp h LYS 87 Ca -0.03 -0.20 -0.35 0.00 -1.87 0.00 0.00 60.65 58.19 2khp h LYS 87 Cb 1.33 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2khp h LYS 87 CO 0.05 1.03 -1.91 1.79 -0.57 0.00 0.00 179.45 179.84 2khp h THR 88 N -0.65 0.72 0.00 -0.16 1.35 -0.68 -3.33 112.91 110.17 2khp h THR 88 Ca -0.05 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 2khp h THR 88 Cb 1.16 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 2khp h THR 88 CO 0.06 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 2khp n GLY 89 N 1.92 0.60 3.02 5.82 0.00 0.87 -4.85 105.19 112.58 2khp n GLY 89 Ca -0.29 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2khp n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khp s LYS 90 N -1.21 0.25 0.25 1.61 3.01 -1.24 -2.21 119.74 120.21 2khp s LYS 90 Ca 0.00 -0.09 -0.30 0.00 -1.01 0.00 0.00 55.97 54.56 2khp s LYS 90 Cb 0.00 0.11 -0.10 0.00 -1.01 0.00 0.00 37.83 36.82 2khp s LYS 90 CO 0.00 -0.05 1.51 -0.48 0.51 0.00 0.00 175.35 176.84 2khp s LEU 91 N -0.53 4.37 0.00 3.17 2.34 -1.26 -4.65 118.68 122.12 2khp s LEU 91 Ca -0.06 2.74 0.01 0.00 0.06 0.00 0.00 54.13 56.88 2khp s LEU 91 Cb -0.04 -3.62 0.01 0.00 -0.56 0.00 0.00 46.19 41.98 2khp s LEU 91 CO 0.00 -0.79 0.54 2.30 -1.06 0.00 0.00 176.35 177.35