#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khp s PRO 2 N 0.00 4.43 -0.03 1.61 0.04 -1.26 -4.61 135.00 135.18 2khp s PRO 2 Ca 0.00 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2khp s PRO 2 Cb 0.00 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.39 2khp s PRO 2 CO 0.00 -0.15 0.04 0.41 0.04 0.00 0.00 177.00 177.34 2khp n GLY 3 N 1.71 -3.95 0.09 0.56 0.00 -1.26 -4.79 105.19 97.54 2khp n GLY 3 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 0.70 0.67 -3.54 1.61 2.88 -1.26 -4.49 113.62 110.20 2khp n SER 4 Ca -0.07 0.28 -0.18 0.00 -1.33 0.00 0.00 58.87 57.57 2khp n SER 4 Cb 0.11 0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 64.08 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 -3.12 1.03 0.06 -1.46 1.75 -1.25 -4.81 119.30 111.49 2khp s MET 5 Ca -0.03 0.27 0.05 0.00 -1.25 0.00 0.00 55.69 54.72 2khp s MET 5 Cb 0.09 0.48 -0.03 0.00 2.84 0.00 0.00 34.83 38.22 2khp s MET 5 CO 0.82 -0.31 -0.14 0.14 -0.65 0.00 0.00 175.02 174.88 2khp s VAL 6 N -1.13 1.10 -0.04 10.11 -7.23 -1.23 -5.02 120.40 116.97 2khp s VAL 6 Ca -0.11 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 2khp s VAL 6 Cb -0.01 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.83 2khp s VAL 6 CO 0.09 -0.15 1.73 -0.62 -0.31 0.00 0.00 175.10 175.84 2khp s ASP 7 N -1.52 6.60 -0.06 4.85 -1.08 -1.26 -4.77 116.67 119.42 2khp s ASP 7 Ca -0.01 2.31 0.03 0.00 -0.52 0.00 0.00 52.55 54.37 2khp s ASP 7 Cb -0.09 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 2khp s ASP 7 CO 0.02 -0.97 -0.15 -0.69 0.52 0.00 0.00 175.17 173.90 2khp s VAL 8 N 4.20 3.00 0.01 1.11 1.01 -1.26 -2.89 120.40 125.59 2khp s VAL 8 Ca 0.77 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2khp s VAL 8 Cb -0.35 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2khp s VAL 8 CO 0.32 0.58 -0.10 -0.63 0.00 0.00 0.00 175.10 175.28 2khp s ILE 9 N -0.58 0.77 -0.03 2.22 1.01 -0.52 -0.71 121.20 123.36 2khp s ILE 9 Ca 0.08 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.12 2khp s ILE 9 Cb -0.11 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 2khp s ILE 9 CO 0.01 0.05 -0.15 -0.51 0.00 0.00 0.00 174.94 174.34 2khp s ILE 10 N -0.56 1.25 -0.21 2.92 2.07 0.63 -0.84 121.20 126.46 2khp s ILE 10 Ca 0.01 -0.63 -0.03 0.00 -1.41 0.00 0.00 60.65 58.59 2khp s ILE 10 Cb -0.06 -1.07 -0.00 0.00 0.13 0.00 0.00 42.46 41.46 2khp s ILE 10 CO 0.00 0.36 -0.07 -0.31 -1.91 0.00 0.00 174.94 173.01 2khp s TYR 11 N -0.01 2.92 0.26 3.50 1.51 -0.15 -1.28 117.35 124.10 2khp s TYR 11 Ca -0.02 -1.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.02 2khp s TYR 11 Cb -0.10 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2khp s TYR 11 CO 0.01 -0.59 0.11 0.25 -1.11 0.00 0.00 175.55 174.23 2khp n THR 12 N 4.73 0.00 -3.63 -0.71 -2.24 -0.47 -1.52 114.28 110.44 2khp n THR 12 Ca -0.19 -1.56 -0.12 0.00 -2.27 0.00 0.00 64.05 59.92 2khp n THR 12 Cb 0.51 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.99 1.00 -0.23 -0.78 1.70 -1.26 -1.14 118.95 115.24 2khp s ARG 13 Ca 0.16 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.66 2khp s ARG 13 Cb 0.01 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 34.81 2khp s ARG 13 CO 0.11 -0.37 1.62 -1.25 -1.08 0.00 0.00 175.30 174.34 2khp s PRO 14 N -2.98 3.75 0.00 3.89 0.04 -1.26 -2.57 135.00 135.88 2khp s PRO 14 Ca -0.02 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2khp s PRO 14 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2khp s PRO 14 CO -0.06 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2khp n GLY 15 N 4.73 0.97 3.40 0.56 0.00 -1.26 -5.08 105.19 108.51 2khp n GLY 15 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 8.80 0.08 -0.06 0.00 0.13 -1.98 -3.05 132.00 135.92 2khp h PRO 17 Ca -0.28 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2khp h PRO 17 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2khp h PRO 17 CO 0.89 0.55 0.10 1.88 -0.23 0.00 0.00 178.00 181.19 2khp h TYR 18 N -0.38 0.00 0.06 1.56 -1.99 -1.99 -2.16 116.97 112.07 2khp h TYR 18 Ca 0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2khp h TYR 18 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2khp h TYR 18 CO 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.22 2khp h ALA 20 N 0.21 0.77 -0.69 0.00 0.00 -1.33 -0.95 119.26 117.26 2khp h ALA 20 Ca -0.01 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2khp h ALA 20 Cb 0.56 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2khp h ALA 20 CO 0.01 -0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.34 2khp h ARG 21 N 0.33 0.56 0.29 0.00 2.47 -1.57 0.06 114.38 116.50 2khp h ARG 21 Ca 0.32 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 2khp h ARG 21 Cb 0.45 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2khp h ARG 21 CO -0.37 0.37 -0.14 0.00 0.56 0.00 0.00 179.97 180.40 2khp h ALA 22 N 1.42 -0.38 -0.16 0.04 0.00 -1.11 -0.73 119.26 118.33 2khp h ALA 22 Ca 0.34 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2khp h ALA 22 Cb 0.36 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2khp h ALA 22 CO -0.27 -0.64 -0.17 0.87 0.00 0.00 0.00 179.25 179.03 2khp h LYS 23 N -0.53 -0.20 -0.61 0.00 1.57 -0.88 -1.05 116.57 114.86 2khp h LYS 23 Ca -0.04 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2khp h LYS 23 Cb 0.39 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 2khp h LYS 23 CO 0.06 -0.13 0.34 0.00 -0.57 0.00 0.00 179.45 179.15 2khp h ALA 24 N 0.85 0.80 -0.49 3.86 0.00 -0.97 -0.26 119.26 123.05 2khp h ALA 24 Ca 0.11 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2khp h ALA 24 Cb 0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2khp h ALA 24 CO -0.28 0.02 0.22 1.25 0.00 0.00 0.00 179.25 180.46 2khp h LEU 25 N 0.64 0.28 -0.92 0.00 5.85 -0.42 0.25 115.31 121.00 2khp h LEU 25 Ca 0.27 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 2khp h LEU 25 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2khp h LEU 25 CO -0.16 0.20 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.84 2khp h LEU 26 N 0.43 0.52 -0.78 2.25 3.38 -0.68 -2.64 115.31 117.80 2khp h LEU 26 Ca 0.23 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2khp h LEU 26 Cb 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2khp h LEU 26 CO -0.19 0.76 -0.39 0.00 0.09 0.00 0.00 178.44 178.71 2khp h ALA 27 N 1.29 0.93 -0.34 1.53 0.00 -0.16 -2.39 119.26 120.13 2khp h ALA 27 Ca 0.07 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2khp h ALA 27 Cb 0.66 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2khp h ALA 27 CO 0.05 0.48 -0.20 -0.09 0.00 0.00 0.00 179.25 179.49 2khp h ARG 28 N 0.00 -0.15 0.00 0.00 2.43 -0.14 0.17 114.38 116.69 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 0.98 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2khp h ARG 28 CO 0.05 -0.10 0.00 1.57 -1.51 0.00 0.00 179.97 179.98 2khp h LYS 29 N -0.15 0.00 0.00 0.20 -0.00 -1.67 -3.46 116.57 111.49 2khp h LYS 29 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.82 2khp h LYS 29 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.65 2khp h LYS 29 CO -0.43 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.43 2khp n GLY 30 N 0.40 0.97 3.63 0.07 0.00 0.60 -5.05 105.19 105.82 2khp n GLY 30 Ca 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.32 0.03 4.61 0.00 -0.90 -4.98 121.76 121.85 2khp s ALA 31 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 2khp s ALA 31 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2khp s ALA 31 CO 0.00 -1.86 1.09 -1.21 0.00 0.00 0.00 175.76 173.78 2khp s GLU 32 N 4.48 4.50 -0.01 0.00 2.02 -1.26 -4.36 118.70 124.07 2khp s GLU 32 Ca 0.67 1.59 -0.02 0.00 0.02 0.00 0.00 54.97 57.23 2khp s GLU 32 Cb -0.23 -3.40 -0.00 0.00 0.10 0.00 0.00 34.13 30.60 2khp s GLU 32 CO 0.27 -0.15 0.04 -0.59 0.02 0.00 0.00 175.26 174.85 2khp s PHE 33 N 1.02 0.02 -0.22 1.61 -0.12 -1.26 -4.50 117.98 114.53 2khp s PHE 33 Ca 0.55 -0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 57.11 2khp s PHE 33 Cb -0.25 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 2khp s PHE 33 CO 0.29 -0.08 1.47 -0.80 -0.05 0.00 0.00 175.22 176.05 2khp s ASN 34 N -0.40 6.58 -0.37 1.98 -0.87 0.11 -4.80 114.94 117.17 2khp s ASN 34 Ca -0.05 1.57 -0.25 0.00 -1.57 0.00 0.00 52.86 52.57 2khp s ASN 34 Cb -0.03 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.68 2khp s ASN 34 CO -0.00 -1.09 0.86 -0.70 -2.57 0.00 0.00 177.10 173.60 2khp s GLU 35 N 4.28 3.80 0.04 -0.60 2.12 -1.26 -0.27 118.70 126.80 2khp s GLU 35 Ca 0.64 0.46 0.06 0.00 0.36 0.00 0.00 54.97 56.49 2khp s GLU 35 Cb -0.23 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.33 2khp s GLU 35 CO 0.25 -0.91 -0.16 0.42 -0.54 0.00 0.00 175.26 174.32 2khp s ILE 36 N 3.31 1.31 0.18 -3.70 1.01 -0.41 -5.00 121.20 117.91 2khp s ILE 36 Ca 0.35 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 2khp s ILE 36 Cb -0.12 -1.16 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 2khp s ILE 36 CO 0.18 0.09 0.46 1.51 0.00 0.00 0.00 174.94 177.19 2khp s ASP 37 N -1.11 6.58 -0.06 3.58 1.47 -1.26 -1.36 116.67 124.50 2khp s ASP 37 Ca 0.04 0.77 0.03 0.00 1.18 0.00 0.00 52.55 54.57 2khp s ASP 37 Cb -0.08 -2.17 -0.06 0.00 -0.34 0.00 0.00 42.92 40.28 2khp s ASP 37 CO 0.01 0.01 -0.02 0.00 0.68 0.00 0.00 175.17 175.85 2khp n ALA 38 N 0.08 1.86 0.27 2.11 0.00 -0.29 -4.56 120.51 119.97 2khp n ALA 38 Ca -0.02 -0.33 0.16 0.00 0.00 0.00 0.00 53.44 53.26 2khp n ALA 38 Cb 0.52 0.24 0.82 0.00 0.00 0.00 0.00 19.45 21.04 2khp n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2khp h SER 39 N 0.00 0.00 -0.93 0.00 0.87 -1.91 -2.53 113.55 109.05 2khp h SER 39 Ca -0.15 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.67 2khp h SER 39 Cb 1.29 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.20 2khp h SER 39 CO -0.01 0.00 0.66 0.00 -0.53 0.00 0.00 176.83 176.95 2khp h ALA 40 N 2.03 2.76 -2.46 6.23 0.00 -1.92 -3.42 119.26 122.48 2khp h ALA 40 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2khp h ALA 40 Cb 0.10 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 2khp h ALA 40 CO 0.00 -1.04 -0.52 0.95 0.00 0.00 0.00 179.25 178.64 2khp s THR 41 N -5.06 0.16 0.12 0.00 -4.23 -0.97 -5.06 115.64 100.60 2khp s THR 41 Ca -0.06 -1.33 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 2khp s THR 41 Cb 0.22 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.77 2khp s THR 41 CO 0.78 -0.74 1.45 1.55 -0.54 0.00 0.00 174.62 177.13 2khp h PRO 42 N 3.21 0.85 -0.17 3.99 0.13 -1.82 -2.56 132.00 135.62 2khp h PRO 42 Ca -0.33 -0.45 -0.07 0.00 -0.87 0.00 0.00 66.00 64.29 2khp h PRO 42 Cb 1.18 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2khp h PRO 42 CO 0.57 1.09 -0.15 1.49 -0.23 0.00 0.00 178.00 180.77 2khp h GLU 43 N 0.64 0.40 -0.79 0.86 4.81 -1.97 0.25 114.58 118.78 2khp h GLU 43 Ca 0.06 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2khp h GLU 43 Cb 0.93 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 2khp h GLU 43 CO 0.09 0.76 0.52 -0.07 -0.73 0.00 0.00 179.01 179.57 2khp h LEU 44 N 0.06 0.81 0.00 1.64 3.38 -1.79 0.23 115.31 119.64 2khp h LEU 44 Ca 0.03 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2khp h LEU 44 Cb 0.67 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2khp h LEU 44 CO 0.04 0.55 -0.90 -0.09 0.09 0.00 0.00 178.44 178.13 2khp h ARG 45 N 0.94 0.00 -0.02 1.13 2.43 -1.23 -3.15 114.38 114.49 2khp h ARG 45 Ca 0.32 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 2khp h ARG 45 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2khp h ARG 45 CO -0.10 0.40 -0.26 0.00 -1.51 0.00 0.00 179.97 178.50 2khp h ALA 46 N 1.48 0.05 -0.20 2.80 0.00 0.47 -1.41 119.26 122.46 2khp h ALA 46 Ca -0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2khp h ALA 46 Cb 1.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2khp h ALA 46 CO 0.06 0.09 -0.12 1.05 0.00 0.00 0.00 179.25 180.33 2khp h GLU 47 N -0.42 0.32 0.09 0.00 4.11 -0.72 0.70 114.58 118.66 2khp h GLU 47 Ca -0.03 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 2khp h GLU 47 Cb 0.98 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2khp h GLU 47 CO 0.05 0.45 -0.04 0.52 0.07 0.00 0.00 179.01 180.06 2khp h MET 48 N 0.30 -0.12 0.00 1.06 2.86 -1.59 -3.10 114.93 114.35 2khp h MET 48 Ca 0.06 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2khp h MET 48 Cb 0.40 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2khp h MET 48 CO 0.02 0.40 -0.10 -0.56 1.06 0.00 0.00 176.91 177.74 2khp h GLN 49 N -0.87 0.00 0.00 1.72 3.07 -1.21 -1.38 115.11 116.45 2khp h GLN 49 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 2khp h GLN 49 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2khp h GLN 49 CO 0.02 0.10 -0.26 1.49 0.09 0.00 0.00 178.83 180.27 2khp h GLU 50 N 0.00 0.00 -0.17 0.06 4.57 -0.89 0.13 114.58 118.28 2khp h GLU 50 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 2khp h GLU 50 Cb 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2khp h GLU 50 CO 0.01 0.26 -0.58 0.00 -1.18 0.00 0.00 179.01 177.53 2khp h ARG 51 N 0.00 0.54 0.09 1.92 3.08 -1.16 -3.29 114.38 115.55 2khp h ARG 51 Ca -0.00 -0.35 -0.35 0.00 0.07 0.00 0.00 59.98 59.35 2khp h ARG 51 Cb 0.81 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 2khp h ARG 51 CO 0.03 0.96 -1.93 -1.13 -1.07 0.00 0.00 179.97 176.84 2khp n SER 52 N -3.94 1.77 -0.30 7.04 3.41 -1.14 -5.02 113.62 115.44 2khp n SER 52 Ca -0.03 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2khp n SER 52 Cb 0.62 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2khp n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2khp n GLY 53 N 1.88 0.84 3.62 5.00 0.00 0.45 -5.10 105.19 111.87 2khp n GLY 53 Ca -0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.02 1.92 0.00 1.61 0.52 -1.13 -5.06 118.95 114.79 2khp s ARG 54 Ca 0.00 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2khp s ARG 54 Cb 0.00 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.98 2khp s ARG 54 CO 0.00 -0.83 0.76 0.27 0.02 0.00 0.00 175.30 175.51 2khp n ASN 55 N -1.13 0.00 -3.64 0.23 6.94 -1.26 -4.70 115.26 111.70 2khp n ASN 55 Ca -0.03 0.76 -0.08 0.00 -0.02 0.00 0.00 54.58 55.21 2khp n ASN 55 Cb 0.61 -0.26 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 2khp n ASN 55 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2khp s THR 56 N -2.03 0.00 0.12 5.53 -4.23 -1.26 -4.78 115.64 108.99 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 0.22 0.72 -0.54 0.00 0.00 174.62 175.02 2khp s PHE 57 N 1.29 0.30 0.20 3.99 -0.71 -1.26 -5.08 117.98 116.71 2khp s PHE 57 Ca -0.07 -0.70 -0.30 0.00 -1.04 0.00 0.00 56.93 54.82 2khp s PHE 57 Cb -0.05 -0.09 -0.09 0.00 -1.21 0.00 0.00 43.02 41.59 2khp s PHE 57 CO -0.15 -0.61 1.30 -1.25 -1.34 0.00 0.00 175.22 173.17 2khp s PRO 58 N -3.91 4.40 -0.17 1.99 0.04 -1.26 -4.89 135.00 131.19 2khp s PRO 58 Ca 0.11 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 2khp s PRO 58 Cb 0.04 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 2khp s PRO 58 CO -0.06 -0.24 0.01 -0.65 0.04 0.00 0.00 177.00 176.11 2khp s GLN 59 N -0.18 3.81 -0.33 4.56 -1.52 -0.58 -3.25 119.66 122.17 2khp s GLN 59 Ca 0.56 -0.44 0.04 0.00 -1.95 0.00 0.00 55.36 53.57 2khp s GLN 59 Cb -0.36 -3.06 0.09 0.00 -0.22 0.00 0.00 33.01 29.46 2khp s GLN 59 CO 0.39 0.25 0.03 0.42 -0.25 0.00 0.00 175.29 176.13 2khp s ILE 60 N 0.38 2.23 -0.31 1.08 1.09 0.11 -0.98 121.20 124.81 2khp s ILE 60 Ca -0.01 -2.24 -0.14 0.00 -1.10 0.00 0.00 60.65 57.17 2khp s ILE 60 Cb -0.13 -2.61 -0.03 0.00 -1.06 0.00 0.00 42.46 38.62 2khp s ILE 60 CO 0.02 -0.53 0.31 -0.36 -0.10 0.00 0.00 174.94 174.28 2khp s PHE 61 N 0.94 3.22 -0.18 3.97 0.08 -0.02 -0.07 117.98 125.92 2khp s PHE 61 Ca 0.08 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.26 2khp s PHE 61 Cb -0.19 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2khp s PHE 61 CO -0.08 -0.30 -0.19 0.42 -0.10 0.00 0.00 175.22 174.96 2khp s ILE 62 N 1.95 2.11 0.00 0.64 1.01 -0.31 -1.43 121.20 125.16 2khp s ILE 62 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2khp s ILE 62 Cb -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2khp s ILE 62 CO 0.11 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.19 2khp n GLY 63 N 4.62 1.26 0.00 6.18 0.00 -1.14 -1.54 105.19 114.57 2khp n GLY 63 Ca -0.21 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 10.95 1.81 -4.34 1.61 7.64 -1.14 -4.88 113.62 125.27 2khp n SER 64 Ca 0.00 -1.87 -0.25 0.00 1.01 0.00 0.00 58.87 57.76 2khp n SER 64 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.87 1.96 -0.51 0.44 1.01 -0.59 -5.11 120.40 116.73 2khp s VAL 65 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 2khp s VAL 65 Cb 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.68 2khp s VAL 65 CO 0.00 -0.08 0.46 -2.28 0.00 0.00 0.00 175.10 173.21 2khp s HIS 66 N -1.36 3.24 0.00 5.22 2.46 -1.26 -1.16 115.29 122.41 2khp s HIS 66 Ca 0.12 -1.11 0.00 0.00 0.47 0.00 0.00 55.06 54.54 2khp s HIS 66 Cb -0.09 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2khp s HIS 66 CO 0.06 -0.93 0.74 0.28 -2.47 0.00 0.00 174.74 172.41 2khp n VAL 67 N 5.25 0.00 0.00 0.89 0.31 0.89 -4.98 118.33 120.69 2khp n VAL 67 Ca -0.13 1.24 0.00 0.00 -0.01 0.00 0.00 64.34 65.44 2khp n VAL 67 Cb 0.42 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 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 -0.84 -0.67 0.00 2.92 0.00 -1.20 -4.96 105.19 100.43 2khp n GLY 68 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 5.27 0.29 -0.02 0.00 -1.20 -0.72 105.19 108.80 2khp n GLY 69 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.81 -0.26 0.27 0.00 5.19 -1.96 0.24 116.42 119.09 2khp h ASP 71 Ca -0.07 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2khp h ASP 71 Cb 0.57 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.30 2khp h ASP 71 CO 0.11 -0.09 -0.13 0.44 -3.12 0.00 0.00 179.24 176.45 2khp h ASP 72 N 0.08 -0.31 -0.84 6.45 5.19 -1.92 0.31 116.42 125.38 2khp h ASP 72 Ca 0.23 -0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.70 2khp h ASP 72 Cb 0.34 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.87 2khp h ASP 72 CO -0.41 -0.15 0.54 0.25 -3.12 0.00 0.00 179.24 176.35 2khp h LEU 73 N -0.45 0.67 -0.43 1.55 5.85 -0.31 0.27 115.31 122.46 2khp h LEU 73 Ca -0.04 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2khp h LEU 73 Cb 0.34 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2khp h LEU 73 CO 0.06 0.38 -0.67 1.88 -0.34 0.00 0.00 178.44 179.75 2khp h TYR 74 N 0.73 0.64 0.00 1.25 -1.99 -0.24 -1.02 116.97 116.35 2khp h TYR 74 Ca 0.40 -0.26 -0.15 0.00 2.00 0.00 0.00 58.73 60.71 2khp h TYR 74 Cb 0.53 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 2khp h TYR 74 CO -0.00 1.01 -0.73 0.00 -0.00 0.00 0.00 178.16 178.44 2khp h ALA 75 N 0.92 0.77 0.00 3.88 0.00 0.55 -2.98 119.26 122.40 2khp h ALA 75 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2khp h ALA 75 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2khp h ALA 75 CO 0.12 0.92 -0.00 -0.07 0.00 0.00 0.00 179.25 180.22 2khp h LEU 76 N 0.00 -0.00 -1.91 0.00 -0.00 -0.47 -3.29 115.31 109.64 2khp h LEU 76 Ca -0.01 -0.91 0.14 0.00 -0.00 0.00 0.00 57.88 57.11 2khp h LEU 76 Cb 1.31 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.94 2khp h LEU 76 CO 0.10 0.92 0.39 1.05 -0.00 0.00 0.00 178.44 180.89 2khp h GLU 77 N -0.93 0.09 -0.93 1.13 -0.00 -1.27 0.17 114.58 112.85 2khp h GLU 77 Ca -0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 59.36 59.40 2khp h GLU 77 Cb 0.91 -0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 29.59 2khp h GLU 77 CO 0.00 0.06 0.61 0.22 -0.00 0.00 0.00 179.01 179.90 2khp h ASP 78 N 0.10 0.99 0.63 3.06 1.82 -1.59 -2.37 116.42 119.05 2khp h ASP 78 Ca 0.26 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 2khp h ASP 78 Cb 0.92 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2khp h ASP 78 CO -0.03 0.67 -1.40 -0.62 -1.61 0.00 0.00 179.24 176.25 2khp n GLU 79 N -4.45 0.63 -1.74 0.28 1.02 -0.10 -4.99 120.64 111.29 2khp n GLU 79 Ca 0.13 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2khp n GLU 79 Cb 0.12 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.25 0.74 0.10 0.62 0.00 0.41 -4.97 105.19 103.34 2khp n GLY 80 Ca -0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 2khp n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khp h LYS 81 N 0.00 0.00 -0.98 1.61 1.79 -1.81 -3.31 116.57 113.87 2khp h LYS 81 Ca 0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.66 2khp h LYS 81 Cb 0.82 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.37 2khp h LYS 81 CO 0.00 0.67 0.61 1.25 -1.08 0.00 0.00 179.45 180.90 2khp h LEU 82 N 0.00 0.69 -0.68 2.94 5.85 -1.94 0.29 115.31 122.46 2khp h LEU 82 Ca -0.05 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2khp h LEU 82 Cb 1.61 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.54 2khp h LEU 82 CO 0.09 0.26 0.36 -0.78 -0.34 0.00 0.00 178.44 178.03 2khp h ASP 83 N 0.68 0.52 0.95 1.25 3.58 -1.96 0.26 116.42 121.70 2khp h ASP 83 Ca 0.55 0.04 -0.22 0.00 0.42 0.00 0.00 57.03 57.82 2khp h ASP 83 Cb 0.96 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 2khp h ASP 83 CO -0.32 0.32 -1.06 0.28 -2.88 0.00 0.00 179.24 175.58 2khp h SER 84 N 0.65 0.01 -0.34 2.28 0.02 -1.19 -2.33 113.55 112.65 2khp h SER 84 Ca 0.31 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 2khp h SER 84 Cb 0.25 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2khp h SER 84 CO -0.21 1.01 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.15 2khp h LEU 85 N 0.00 0.89 0.00 5.07 3.38 0.17 0.24 115.31 125.05 2khp h LEU 85 Ca -0.03 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 2khp h LEU 85 Cb 1.79 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2khp h LEU 85 CO 0.13 1.10 -0.66 0.17 0.09 0.00 0.00 178.44 179.27 2khp h LEU 86 N 0.73 0.00 0.09 1.67 8.10 -0.59 0.24 115.31 125.56 2khp h LEU 86 Ca 0.09 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.92 2khp h LEU 86 Cb 0.82 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.05 2khp h LEU 86 CO 0.07 0.38 -0.75 0.11 -4.11 0.00 0.00 178.44 174.14 2khp h LYS 87 N 0.00 0.19 0.12 0.17 1.57 -1.27 -3.27 116.57 114.09 2khp h LYS 87 Ca -0.04 -0.33 -0.35 0.00 -1.87 0.00 0.00 60.65 58.06 2khp h LYS 87 Cb 1.32 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 2khp h LYS 87 CO 0.04 1.16 -1.92 1.79 -0.57 0.00 0.00 179.45 179.95 2khp h THR 88 N -0.56 0.71 0.00 -0.16 1.35 -0.66 -3.34 112.91 110.25 2khp h THR 88 Ca -0.15 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 2khp h THR 88 Cb 1.48 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2khp h THR 88 CO 0.07 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 2khp n GLY 89 N 1.92 0.75 3.29 5.82 0.00 0.84 -4.90 105.19 112.91 2khp n GLY 89 Ca -0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.68 1.11 -0.22 1.61 3.01 -1.23 -2.90 119.74 120.44 2khp s LYS 90 Ca 0.00 -1.29 -0.05 0.00 -1.01 0.00 0.00 55.97 53.62 2khp s LYS 90 Cb 0.00 0.33 -0.02 0.00 -1.01 0.00 0.00 37.83 37.14 2khp s LYS 90 CO 0.00 -0.39 -0.00 -1.17 0.51 0.00 0.00 175.35 174.30 2khp s LEU 91 N -3.01 3.14 0.00 3.17 2.96 -1.26 -4.43 118.68 119.25 2khp s LEU 91 Ca 0.21 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2khp s LEU 91 Cb 0.05 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.97 2khp s LEU 91 CO 0.02 0.01 0.54 2.30 -1.32 0.00 0.00 176.35 177.90