#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khp h PRO 2 N 0.00 0.45 -2.45 1.61 0.13 -2.07 -3.39 132.00 126.28 2khp h PRO 2 Ca 0.00 -0.23 -0.59 0.00 -0.87 0.00 0.00 66.00 64.31 2khp h PRO 2 Cb 0.00 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2khp h PRO 2 CO 0.00 0.80 -0.93 0.20 -0.23 0.00 0.00 178.00 177.85 2khp s GLY 3 N -4.13 1.10 -1.35 1.56 0.00 -1.26 -5.03 107.32 98.22 2khp s GLY 3 Ca -0.06 -2.27 -0.09 0.00 0.00 0.00 0.00 44.72 42.29 2khp s GLY 3 CO 0.81 2.10 2.13 1.44 0.00 0.00 0.00 173.10 179.57 2khp n SER 4 N 3.24 5.81 -4.09 1.64 7.64 -1.26 -4.91 113.62 121.69 2khp n SER 4 Ca 0.23 -3.03 -0.18 0.00 1.01 0.00 0.00 58.87 56.90 2khp n SER 4 Cb 0.44 -1.49 -0.09 0.00 -1.01 0.00 0.00 64.21 62.06 2khp n SER 4 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2khp s MET 5 N 0.63 1.56 -0.04 1.43 -1.94 -1.25 -4.58 119.30 115.11 2khp s MET 5 Ca 0.46 -1.88 -0.08 0.00 -1.71 0.00 0.00 55.69 52.48 2khp s MET 5 Cb 0.13 -0.18 0.01 0.00 2.01 0.00 0.00 34.83 36.80 2khp s MET 5 CO -0.04 -0.41 0.19 0.14 -0.01 0.00 0.00 175.02 174.90 2khp s VAL 6 N -3.63 0.04 0.07 -6.03 -7.23 -1.25 -4.95 120.40 97.43 2khp s VAL 6 Ca 0.36 -0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 2khp s VAL 6 Cb 0.06 -0.38 -0.09 0.00 0.56 0.00 0.00 36.38 36.52 2khp s VAL 6 CO 0.16 -0.17 1.88 -1.81 -0.31 0.00 0.00 175.10 174.85 2khp s ASP 7 N -0.62 6.46 -0.17 4.85 1.01 -1.26 -4.74 116.67 122.20 2khp s ASP 7 Ca -0.07 2.67 -0.03 0.00 0.71 0.00 0.00 52.55 55.83 2khp s ASP 7 Cb -0.04 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2khp s ASP 7 CO 0.01 -1.02 -0.05 -0.69 0.21 0.00 0.00 175.17 173.63 2khp s VAL 8 N 3.66 3.59 -0.09 -1.27 1.01 -1.26 -3.20 120.40 122.84 2khp s VAL 8 Ca 0.84 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2khp s VAL 8 Cb -0.43 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2khp s VAL 8 CO 0.38 0.47 -0.23 -0.63 0.00 0.00 0.00 175.10 175.09 2khp s ILE 9 N 0.74 1.99 -0.09 2.22 1.01 -0.27 -0.27 121.20 126.55 2khp s ILE 9 Ca -0.02 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2khp s ILE 9 Cb -0.15 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 2khp s ILE 9 CO 0.02 0.55 -0.24 -0.51 0.00 0.00 0.00 174.94 174.76 2khp s ILE 10 N 0.30 2.12 -0.25 2.92 2.07 -0.12 -0.12 121.20 128.12 2khp s ILE 10 Ca -0.17 -1.02 -0.08 0.00 -1.41 0.00 0.00 60.65 57.98 2khp s ILE 10 Cb -0.17 -1.79 -0.03 0.00 0.13 0.00 0.00 42.46 40.59 2khp s ILE 10 CO 0.08 0.56 0.08 -0.31 -1.91 0.00 0.00 174.94 173.44 2khp s TYR 11 N 0.16 3.10 0.05 3.50 1.51 0.52 -1.11 117.35 125.08 2khp s TYR 11 Ca -0.13 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.52 2khp s TYR 11 Cb -0.16 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 2khp s TYR 11 CO 0.07 -0.31 0.10 0.95 -1.11 0.00 0.00 175.55 175.24 2khp s THR 12 N 1.55 0.15 0.15 -0.71 -4.23 -0.57 -1.53 115.64 110.44 2khp s THR 12 Ca 0.06 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 2khp s THR 12 Cb -0.15 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 2khp s THR 12 CO 0.04 -0.66 0.13 0.00 -0.54 0.00 0.00 174.62 173.59 2khp s ARG 13 N -3.01 2.92 -0.81 3.99 1.70 -1.26 -3.44 118.95 119.04 2khp s ARG 13 Ca -0.02 -0.83 -0.23 0.00 -0.47 0.00 0.00 55.73 54.19 2khp s ARG 13 Cb 0.01 -2.67 -0.16 0.00 -0.57 0.00 0.00 34.95 31.56 2khp s ARG 13 CO -0.06 0.50 1.91 -0.35 -1.08 0.00 0.00 175.30 176.21 2khp n PRO 14 N -0.23 1.44 0.00 3.89 -0.04 -1.26 -3.67 135.00 135.13 2khp n PRO 14 Ca -0.08 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 2khp n PRO 14 Cb 0.54 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 2khp n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2khp n GLY 15 N 4.81 -0.11 3.19 0.55 0.00 -1.26 -5.17 105.19 107.20 2khp n GLY 15 Ca 0.49 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 7.49 0.40 -0.96 0.00 0.13 -2.00 -2.89 132.00 134.18 2khp h PRO 17 Ca -0.31 -0.21 0.21 0.00 -0.87 0.00 0.00 66.00 64.82 2khp h PRO 17 Cb 1.15 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2khp h PRO 17 CO 0.26 0.77 0.62 1.88 -0.23 0.00 0.00 178.00 181.30 2khp h TYR 18 N 0.05 0.70 0.04 1.56 0.05 -1.98 -1.31 116.97 116.08 2khp h TYR 18 Ca 0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 2khp h TYR 18 Cb 0.70 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2khp h TYR 18 CO 0.08 0.16 -0.02 0.00 -1.05 0.00 0.00 178.16 177.33 2khp h ALA 20 N 0.29 1.20 0.08 0.00 0.00 -1.07 0.16 119.26 119.92 2khp h ALA 20 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2khp h ALA 20 Cb 0.56 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2khp h ALA 20 CO 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 2khp h ARG 21 N 0.45 -0.10 0.55 0.00 2.47 -1.32 -0.73 114.38 115.70 2khp h ARG 21 Ca 0.47 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.18 2khp h ARG 21 Cb 0.77 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 2khp h ARG 21 CO -0.44 0.11 -0.51 0.00 0.56 0.00 0.00 179.97 179.69 2khp h ALA 22 N 0.61 -1.18 -0.50 0.04 0.00 -0.92 -0.41 119.26 116.90 2khp h ALA 22 Ca -0.01 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2khp h ALA 22 Cb 0.25 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2khp h ALA 22 CO 0.02 -1.20 0.04 0.87 0.00 0.00 0.00 179.25 178.98 2khp h LYS 23 N -1.04 0.15 -0.87 0.00 1.57 -1.05 0.14 116.57 115.47 2khp h LYS 23 Ca -0.07 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2khp h LYS 23 Cb 0.89 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.09 2khp h LYS 23 CO -0.04 0.10 0.51 0.00 -0.57 0.00 0.00 179.45 179.45 2khp h ALA 24 N 1.43 1.27 -0.48 3.86 0.00 -0.86 0.15 119.26 124.63 2khp h ALA 24 Ca 0.25 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2khp h ALA 24 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2khp h ALA 24 CO -0.39 0.12 -0.22 1.25 0.00 0.00 0.00 179.25 180.02 2khp h LEU 25 N 0.84 1.02 -1.21 0.00 5.85 0.37 -2.49 115.31 119.68 2khp h LEU 25 Ca 0.43 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2khp h LEU 25 Cb 0.41 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2khp h LEU 25 CO -0.26 1.19 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.83 2khp h LEU 26 N 0.84 0.37 -0.78 2.25 3.38 -0.02 -2.27 115.31 119.09 2khp h LEU 26 Ca 0.11 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2khp h LEU 26 Cb 0.80 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2khp h LEU 26 CO 0.07 0.53 -0.40 0.00 0.09 0.00 0.00 178.44 178.73 2khp h ALA 27 N 1.51 0.93 -0.28 1.53 0.00 -0.83 -2.19 119.26 119.94 2khp h ALA 27 Ca 0.07 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2khp h ALA 27 Cb 0.45 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2khp h ALA 27 CO 0.03 0.50 -0.19 -0.09 0.00 0.00 0.00 179.25 179.50 2khp h ARG 28 N 0.00 -0.16 0.00 0.00 2.43 -0.95 0.11 114.38 115.80 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 0.99 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2khp h ARG 28 CO 0.05 -0.11 0.00 1.57 -1.51 0.00 0.00 179.97 179.97 2khp h LYS 29 N -0.17 0.00 0.00 0.20 2.10 -1.66 -3.47 116.57 113.57 2khp h LYS 29 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2khp h LYS 29 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2khp h LYS 29 CO -0.38 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.48 2khp n GLY 30 N 0.88 0.78 3.63 0.07 0.00 0.02 -5.03 105.19 105.54 2khp n GLY 30 Ca 0.04 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2khp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp s ALA 31 N -2.00 3.30 0.15 4.61 0.00 -0.83 -4.98 121.76 122.01 2khp s ALA 31 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 2khp s ALA 31 Cb 0.00 -3.83 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 2khp s ALA 31 CO 0.00 -1.90 1.11 -1.21 0.00 0.00 0.00 175.76 173.76 2khp s GLU 32 N 4.57 4.56 0.01 0.00 2.02 -1.26 -4.56 118.70 124.04 2khp s GLU 32 Ca 0.69 1.71 -0.10 0.00 0.02 0.00 0.00 54.97 57.28 2khp s GLU 32 Cb -0.24 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.71 2khp s GLU 32 CO 0.28 0.01 0.21 -0.59 0.02 0.00 0.00 175.26 175.19 2khp s PHE 33 N 0.06 -0.04 -0.26 1.61 -0.12 -1.26 -4.62 117.98 113.36 2khp s PHE 33 Ca 0.51 -0.02 -0.22 0.00 -0.05 0.00 0.00 56.93 57.16 2khp s PHE 33 Cb -0.29 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.10 2khp s PHE 33 CO 0.33 -0.36 0.69 1.21 -0.05 0.00 0.00 175.22 177.05 2khp s ASN 34 N -1.52 6.64 -0.15 1.98 2.47 0.63 -4.93 114.94 120.07 2khp s ASN 34 Ca -0.12 0.77 -0.24 0.00 0.42 0.00 0.00 52.86 53.69 2khp s ASN 34 Cb -0.05 -2.37 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 2khp s ASN 34 CO 0.01 -0.44 0.76 -0.70 -3.72 0.00 0.00 177.10 173.02 2khp s GLU 35 N 2.63 4.32 0.04 0.43 2.12 -1.26 -0.95 118.70 126.03 2khp s GLU 35 Ca 0.29 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.55 2khp s GLU 35 Cb -0.15 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 2khp s GLU 35 CO 0.09 -0.21 -0.10 0.42 -0.54 0.00 0.00 175.26 174.91 2khp s ILE 36 N 1.75 0.79 0.24 -3.70 1.01 -0.27 -4.97 121.20 116.04 2khp s ILE 36 Ca 0.36 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 2khp s ILE 36 Cb -0.17 -0.78 -0.08 0.00 0.01 0.00 0.00 42.46 41.45 2khp s ILE 36 CO 0.14 -0.21 0.59 1.51 0.00 0.00 0.00 174.94 176.97 2khp s ASP 37 N -1.37 6.70 -0.10 3.58 1.47 -1.26 -1.51 116.67 124.18 2khp s ASP 37 Ca -0.04 1.03 0.00 0.00 1.18 0.00 0.00 52.55 54.72 2khp s ASP 37 Cb -0.09 -2.27 -0.06 0.00 -0.34 0.00 0.00 42.92 40.16 2khp s ASP 37 CO 0.01 -0.07 -0.09 0.00 0.68 0.00 0.00 175.17 175.70 2khp n ALA 38 N -0.02 1.86 0.33 2.11 0.00 -1.22 -4.55 120.51 119.02 2khp n ALA 38 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.14 2khp n ALA 38 Cb 0.52 0.29 0.45 0.00 0.00 0.00 0.00 19.45 20.72 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 -2.86 0.50 -0.34 0.00 2.88 -1.26 -2.30 113.62 110.25 2khp n SER 39 Ca -0.17 0.65 0.11 0.00 -1.33 0.00 0.00 58.87 58.13 2khp n SER 39 Cb 0.67 -0.75 0.29 0.00 -0.75 0.00 0.00 64.21 63.68 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 2.22 1.55 -2.34 -1.46 0.00 -1.95 -3.43 119.26 113.85 2khp h ALA 40 Ca 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 2khp h ALA 40 Cb 0.24 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 2khp h ALA 40 CO 0.00 -0.06 -0.72 0.95 0.00 0.00 0.00 179.25 179.42 2khp s THR 41 N -5.89 1.30 0.10 0.00 -4.23 -1.14 -5.06 115.64 100.72 2khp s THR 41 Ca -0.12 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 2khp s THR 41 Cb 0.24 -1.83 -0.08 0.00 1.34 0.00 0.00 72.50 72.17 2khp s THR 41 CO 0.80 -0.66 1.42 1.55 -0.54 0.00 0.00 174.62 177.19 2khp h PRO 42 N 2.87 0.70 -0.02 3.99 0.13 -1.84 -1.86 132.00 135.97 2khp h PRO 42 Ca -0.37 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.38 2khp h PRO 42 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2khp h PRO 42 CO 0.61 0.98 -0.01 1.49 -0.23 0.00 0.00 178.00 180.84 2khp h GLU 43 N 0.45 0.04 0.00 0.86 4.81 -1.97 0.26 114.58 119.02 2khp h GLU 43 Ca 0.05 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2khp h GLU 43 Cb 0.85 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 2khp h GLU 43 CO 0.07 0.41 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.58 2khp h LEU 44 N -0.32 0.00 0.10 1.64 3.38 -1.80 -1.22 115.31 117.08 2khp h LEU 44 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2khp h LEU 44 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2khp h LEU 44 CO 0.00 0.11 -1.47 -0.09 0.09 0.00 0.00 178.44 177.07 2khp h ARG 45 N 0.00 0.20 0.04 1.13 2.43 -0.90 -3.30 114.38 113.98 2khp h ARG 45 Ca -0.00 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2khp h ARG 45 Cb 0.21 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2khp h ARG 45 CO 0.01 1.06 -0.02 0.00 -1.51 0.00 0.00 179.97 179.51 2khp h ALA 46 N 0.59 -0.06 -0.81 2.80 0.00 0.06 -2.96 119.26 118.88 2khp h ALA 46 Ca -0.22 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.72 2khp h ALA 46 Cb 1.99 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 2khp h ALA 46 CO 0.15 -0.36 0.56 1.05 0.00 0.00 0.00 179.25 180.65 2khp h GLU 47 N -0.41 0.23 -0.77 0.00 4.11 -1.40 0.11 114.58 116.46 2khp h GLU 47 Ca -0.01 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.35 2khp h GLU 47 Cb 0.37 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2khp h GLU 47 CO 0.01 0.15 0.26 1.98 0.07 0.00 0.00 179.01 181.48 2khp h MET 48 N 0.24 1.18 0.00 1.06 4.05 -1.60 -2.23 114.93 117.62 2khp h MET 48 Ca 0.41 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2khp h MET 48 Cb 1.23 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2khp h MET 48 CO -0.09 0.98 0.00 1.96 0.23 0.00 0.00 176.91 179.99 2khp h GLN 49 N 1.14 0.00 0.00 0.39 4.20 -0.77 -2.16 115.11 117.90 2khp h GLN 49 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2khp h GLN 49 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2khp h GLN 49 CO -0.01 0.00 0.00 1.49 -0.67 0.00 0.00 178.83 179.64 2khp h GLU 50 N 0.00 0.00 0.00 1.46 4.81 -0.65 0.32 114.58 120.52 2khp h GLU 50 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2khp h GLU 50 Cb 0.83 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 2khp h GLU 50 CO 0.00 0.00 -2.05 0.54 -0.73 0.00 0.00 179.01 176.77 2khp n ARG 51 N -3.04 0.48 0.12 1.92 1.74 -1.16 -4.63 116.66 112.09 2khp n ARG 51 Ca 0.01 0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 56.99 2khp n ARG 51 Cb 0.35 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 30.27 2khp n ARG 51 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2khp h SER 52 N 0.00 0.63 -3.98 0.55 4.64 -1.45 -3.48 113.55 110.46 2khp h SER 52 Ca -0.41 -0.69 -0.26 0.00 -0.47 0.00 0.00 61.79 59.95 2khp h SER 52 Cb 1.64 -0.21 0.08 0.00 -0.31 0.00 0.00 62.40 63.61 2khp h SER 52 CO -0.06 1.55 -0.44 0.61 -0.87 0.00 0.00 176.83 177.62 2khp n GLY 53 N 1.64 -0.05 3.60 -0.77 0.00 0.11 -5.01 105.19 104.72 2khp n GLY 53 Ca -0.14 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.76 1.95 0.00 1.61 0.52 -1.26 -5.08 118.95 110.93 2khp s ARG 54 Ca 0.35 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2khp s ARG 54 Cb -0.15 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.82 2khp s ARG 54 CO 0.43 -0.84 1.00 0.27 0.02 0.00 0.00 175.30 176.18 2khp n ASN 55 N -1.23 0.00 -3.65 0.23 0.23 -1.26 -4.76 115.26 104.82 2khp n ASN 55 Ca -0.02 1.00 -0.02 0.00 -0.53 0.00 0.00 54.58 55.01 2khp n ASN 55 Cb 0.61 -0.50 -0.06 0.00 -2.08 0.00 0.00 39.78 37.75 2khp n ASN 55 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2khp s THR 56 N -3.00 0.00 0.09 5.53 -4.23 -1.26 -4.91 115.64 107.87 2khp s THR 56 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 2khp s THR 56 Cb 0.00 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 2khp s THR 56 CO 0.00 0.00 0.18 0.72 -0.54 0.00 0.00 174.62 174.98 2khp s PHE 57 N 0.96 0.21 0.14 3.99 -0.71 -1.26 -5.09 117.98 116.22 2khp s PHE 57 Ca -0.05 -0.64 -0.31 0.00 -1.04 0.00 0.00 56.93 54.89 2khp s PHE 57 Cb -0.03 -0.09 -0.08 0.00 -1.21 0.00 0.00 43.02 41.61 2khp s PHE 57 CO -0.12 -0.55 1.34 -1.25 -1.34 0.00 0.00 175.22 173.30 2khp s PRO 58 N -3.88 4.36 -0.16 1.99 0.04 -1.26 -4.90 135.00 131.19 2khp s PRO 58 Ca 0.06 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2khp s PRO 58 Cb 0.05 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2khp s PRO 58 CO -0.10 -0.35 -0.02 -0.65 0.04 0.00 0.00 177.00 175.92 2khp s GLN 59 N 0.62 3.73 -0.36 4.56 1.11 -0.58 -3.20 119.66 125.52 2khp s GLN 59 Ca 0.61 -0.49 0.00 0.00 0.01 0.00 0.00 55.36 55.49 2khp s GLN 59 Cb -0.36 -2.97 0.10 0.00 -1.01 0.00 0.00 33.01 28.77 2khp s GLN 59 CO 0.33 0.25 0.11 0.42 0.01 0.00 0.00 175.29 176.41 2khp s ILE 60 N 0.36 2.83 -0.29 1.08 1.09 0.87 -0.35 121.20 126.79 2khp s ILE 60 Ca -0.03 -2.07 -0.16 0.00 -1.10 0.00 0.00 60.65 57.29 2khp s ILE 60 Cb -0.14 -2.94 -0.03 0.00 -1.06 0.00 0.00 42.46 38.30 2khp s ILE 60 CO 0.02 -0.56 0.43 -0.36 -0.10 0.00 0.00 174.94 174.38 2khp s PHE 61 N 1.06 3.24 -0.20 3.97 0.08 0.83 -0.40 117.98 126.56 2khp s PHE 61 Ca 0.07 0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.53 2khp s PHE 61 Cb -0.21 -2.68 0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2khp s PHE 61 CO -0.05 -0.31 -0.13 0.42 -0.10 0.00 0.00 175.22 175.05 2khp s ILE 62 N 2.18 1.84 0.00 0.64 1.01 -0.49 -1.11 121.20 125.28 2khp s ILE 62 Ca 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2khp s ILE 62 Cb -0.16 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2khp s ILE 62 CO 0.10 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2khp n GLY 63 N 4.63 1.29 0.01 6.18 0.00 -1.19 -1.51 105.19 114.60 2khp n GLY 63 Ca -0.16 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 11.11 2.03 -4.34 1.61 2.88 -1.10 -4.95 113.62 120.85 2khp n SER 64 Ca 0.00 -2.17 -0.26 0.00 -1.33 0.00 0.00 58.87 55.12 2khp n SER 64 Cb 0.00 -0.07 -0.12 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.29 1.99 -0.49 2.46 1.01 -0.57 -5.04 120.40 118.46 2khp s VAL 65 Ca 0.05 -1.74 -0.14 0.00 0.00 0.00 0.00 61.98 60.15 2khp s VAL 65 Cb 0.05 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.71 2khp s VAL 65 CO 0.00 -0.07 0.41 -2.28 0.00 0.00 0.00 175.10 173.17 2khp s HIS 66 N -1.35 3.29 0.00 5.22 2.46 -1.26 -1.39 115.29 122.26 2khp s HIS 66 Ca 0.12 -1.32 0.00 0.00 0.47 0.00 0.00 55.06 54.33 2khp s HIS 66 Cb -0.09 -3.45 0.00 0.00 -0.13 0.00 0.00 32.58 28.91 2khp s HIS 66 CO 0.06 -0.93 0.74 0.28 -2.47 0.00 0.00 174.74 172.42 2khp n VAL 67 N 5.13 0.00 0.00 0.89 0.31 0.46 -4.99 118.33 120.13 2khp n VAL 67 Ca -0.12 1.24 0.00 0.00 -0.01 0.00 0.00 64.34 65.45 2khp n VAL 67 Cb 0.42 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 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 -0.79 -0.20 0.00 2.92 0.00 -1.22 -4.92 105.19 100.98 2khp n GLY 68 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 5.42 0.35 -0.02 0.00 -1.20 -0.09 105.19 109.66 2khp n GLY 69 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.89 -0.27 0.26 0.00 1.82 -1.97 0.21 116.42 115.59 2khp h ASP 71 Ca -0.09 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2khp h ASP 71 Cb 0.67 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2khp h ASP 71 CO 0.14 -0.09 -0.13 0.44 -1.61 0.00 0.00 179.24 177.99 2khp h ASP 72 N 0.07 -0.30 -0.51 2.28 5.19 -1.90 0.15 116.42 121.40 2khp h ASP 72 Ca 0.23 -0.07 0.09 0.00 -0.62 0.00 0.00 57.03 56.66 2khp h ASP 72 Cb 0.34 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 39.86 2khp h ASP 72 CO -0.41 -0.12 0.11 0.25 -3.12 0.00 0.00 179.24 175.95 2khp h LEU 73 N -0.47 0.01 -1.15 1.55 5.85 -0.04 0.30 115.31 121.36 2khp h LEU 73 Ca -0.04 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2khp h LEU 73 Cb 0.35 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2khp h LEU 73 CO 0.06 0.03 -0.42 1.88 -0.34 0.00 0.00 178.44 179.65 2khp h TYR 74 N 0.25 0.00 -0.01 1.25 -1.99 -0.48 -1.21 116.97 114.77 2khp h TYR 74 Ca 0.26 -0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.82 2khp h TYR 74 Cb 0.35 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 2khp h TYR 74 CO -0.23 0.42 -0.75 0.00 -0.00 0.00 0.00 178.16 177.60 2khp h ALA 75 N 1.58 0.71 0.06 3.88 0.00 0.11 -2.83 119.26 122.77 2khp h ALA 75 Ca -0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2khp h ALA 75 Cb 0.75 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2khp h ALA 75 CO 0.05 0.87 -0.49 -0.07 0.00 0.00 0.00 179.25 179.62 2khp h LEU 76 N 0.08 0.33 -2.39 0.00 -0.00 -0.22 -3.26 115.31 109.85 2khp h LEU 76 Ca -0.02 -0.90 -0.01 0.00 -0.00 0.00 0.00 57.88 56.95 2khp h LEU 76 Cb 1.33 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2khp h LEU 76 CO 0.11 1.20 -0.02 1.05 -0.00 0.00 0.00 178.44 180.77 2khp h GLU 77 N -0.50 0.00 -0.12 1.13 -0.00 -1.30 -0.44 114.58 113.35 2khp h GLU 77 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.24 2khp h GLU 77 Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.07 2khp h GLU 77 CO 0.09 0.02 -0.13 0.22 -0.00 0.00 0.00 179.01 179.21 2khp h ASP 78 N 0.00 0.18 0.11 3.06 3.58 -1.54 -2.80 116.42 119.01 2khp h ASP 78 Ca -0.00 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2khp h ASP 78 Cb 0.07 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2khp h ASP 78 CO 0.00 0.34 -1.92 -0.62 -2.88 0.00 0.00 179.24 174.17 2khp n GLU 79 N -4.29 0.66 -0.95 0.28 1.02 -0.49 -5.00 120.64 111.87 2khp n GLU 79 Ca -0.01 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2khp n GLU 79 Cb 0.26 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.29 1.21 0.11 0.62 0.00 -0.29 -5.00 105.19 103.12 2khp n GLY 80 Ca -0.06 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.86 0.69 -0.22 1.61 4.76 -0.98 -4.27 118.16 118.88 2khp n LYS 81 Ca 0.00 0.23 0.03 0.00 -2.87 0.00 0.00 58.31 55.70 2khp n LYS 81 Cb 0.23 -1.70 0.14 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.03 0.07 -0.90 -0.35 5.85 -1.93 0.30 115.31 118.38 2khp h LEU 82 Ca -0.40 0.12 0.16 0.00 0.84 0.00 0.00 57.88 58.59 2khp h LEU 82 Cb 2.04 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 43.12 2khp h LEU 82 CO 0.06 0.02 0.50 -0.78 -0.34 0.00 0.00 178.44 177.90 2khp h ASP 83 N 0.31 0.63 1.32 1.25 3.58 -1.92 0.87 116.42 122.45 2khp h ASP 83 Ca 0.36 0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.77 2khp h ASP 83 Cb 0.56 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2khp h ASP 83 CO -0.43 0.26 -0.69 0.28 -2.88 0.00 0.00 179.24 175.78 2khp h SER 84 N 0.69 0.00 -0.52 2.28 0.02 -1.18 -2.65 113.55 112.20 2khp h SER 84 Ca 0.50 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.33 2khp h SER 84 Cb 0.71 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2khp h SER 84 CO -0.36 0.63 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.75 2khp h LEU 85 N 0.00 1.02 0.00 5.07 3.38 0.18 0.24 115.31 125.20 2khp h LEU 85 Ca -0.02 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 2khp h LEU 85 Cb 1.50 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2khp h LEU 85 CO 0.08 1.15 -0.64 0.17 0.09 0.00 0.00 178.44 179.29 2khp h LEU 86 N 0.89 0.00 0.09 1.67 8.10 -1.14 0.24 115.31 125.16 2khp h LEU 86 Ca 0.13 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.99 2khp h LEU 86 Cb 0.71 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2khp h LEU 86 CO 0.05 0.37 -0.59 0.11 -4.11 0.00 0.00 178.44 174.28 2khp h LYS 87 N 0.00 0.18 0.12 0.17 1.79 -1.31 -3.31 116.57 114.22 2khp h LYS 87 Ca -0.03 -0.31 -0.35 0.00 -2.18 0.00 0.00 60.65 57.77 2khp h LYS 87 Cb 1.31 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 32.06 2khp h LYS 87 CO 0.04 1.15 -1.91 1.79 -1.08 0.00 0.00 179.45 179.44 2khp h THR 88 N -0.60 0.71 0.00 -0.16 1.35 -0.65 -3.33 112.91 110.23 2khp h THR 88 Ca -0.11 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 2khp h THR 88 Cb 1.42 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2khp h THR 88 CO 0.08 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 2khp n GLY 89 N 1.92 0.61 3.21 5.82 0.00 0.84 -4.88 105.19 112.72 2khp n GLY 89 Ca -0.29 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.15 0.98 -0.17 1.61 3.01 -1.24 -2.69 119.74 120.09 2khp s LYS 90 Ca 0.00 -1.32 -0.05 0.00 -1.01 0.00 0.00 55.97 53.60 2khp s LYS 90 Cb 0.00 0.29 -0.03 0.00 -1.01 0.00 0.00 37.83 37.08 2khp s LYS 90 CO 0.00 -0.31 -0.01 -1.17 0.51 0.00 0.00 175.35 174.37 2khp s LEU 91 N -3.01 3.35 0.00 3.17 2.96 -1.26 -4.53 118.68 119.37 2khp s LEU 91 Ca 0.20 -0.11 0.14 0.00 -0.22 0.00 0.00 54.13 54.14 2khp s LEU 91 Cb 0.06 -1.82 0.11 0.00 0.50 0.00 0.00 46.19 45.04 2khp s LEU 91 CO -0.00 0.15 0.95 2.30 -1.32 0.00 0.00 176.35 178.43