#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 3.40 1.15 1.61 0.04 -1.26 -4.72 135.00 135.22 2khp s PRO 2 Ca 0.00 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2khp s PRO 2 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2khp s PRO 2 CO 0.00 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.63 2khp n GLY 3 N 0.19 0.88 3.40 0.56 0.00 -1.26 -4.97 105.19 103.98 2khp n GLY 3 Ca 0.11 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 1.34 -5.90 -3.77 1.61 2.88 -1.26 -4.98 113.62 103.54 2khp n SER 4 Ca 0.00 -0.46 -0.12 0.00 -1.33 0.00 0.00 58.87 56.96 2khp n SER 4 Cb 0.00 -4.71 -0.08 0.00 -0.75 0.00 0.00 64.21 58.67 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 -6.10 0.76 0.07 -1.46 0.00 -1.25 -4.77 119.30 106.55 2khp s MET 5 Ca 0.48 -0.45 0.06 0.00 0.00 0.00 0.00 55.69 55.77 2khp s MET 5 Cb -0.22 0.33 -0.03 0.00 0.00 0.00 0.00 34.83 34.91 2khp s MET 5 CO 0.59 -0.23 -0.15 0.14 0.00 0.00 0.00 175.02 175.36 2khp s VAL 6 N -2.26 1.20 -0.12 10.11 -7.23 -1.23 -5.01 120.40 115.86 2khp s VAL 6 Ca -0.07 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 2khp s VAL 6 Cb -0.02 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 2khp s VAL 6 CO -0.02 -0.16 1.33 -1.81 -0.31 0.00 0.00 175.10 174.13 2khp s ASP 7 N -1.67 6.90 -0.11 4.85 1.01 -1.26 -4.78 116.67 121.61 2khp s ASP 7 Ca -0.00 1.83 -0.03 0.00 0.71 0.00 0.00 52.55 55.06 2khp s ASP 7 Cb -0.10 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2khp s ASP 7 CO 0.02 -0.77 -0.00 -0.69 0.21 0.00 0.00 175.17 173.95 2khp s VAL 8 N 3.35 4.26 -0.05 -1.27 1.01 -1.26 -2.95 120.40 123.49 2khp s VAL 8 Ca 0.59 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2khp s VAL 8 Cb -0.25 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2khp s VAL 8 CO 0.19 0.56 -0.11 -0.63 0.00 0.00 0.00 175.10 175.11 2khp s ILE 9 N -0.46 1.02 -0.08 2.22 1.01 -0.43 -0.53 121.20 123.96 2khp s ILE 9 Ca 0.08 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2khp s ILE 9 Cb -0.12 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 2khp s ILE 9 CO 0.02 0.32 -0.16 -0.51 0.00 0.00 0.00 174.94 174.61 2khp s ILE 10 N 0.47 2.81 -0.22 2.92 2.07 0.21 -0.91 121.20 128.54 2khp s ILE 10 Ca -0.10 -0.79 -0.05 0.00 -1.41 0.00 0.00 60.65 58.31 2khp s ILE 10 Cb -0.13 -2.11 -0.01 0.00 0.13 0.00 0.00 42.46 40.33 2khp s ILE 10 CO 0.02 0.56 -0.01 -0.31 -1.91 0.00 0.00 174.94 173.29 2khp s TYR 11 N -0.22 2.99 0.23 3.50 1.51 -0.49 -1.23 117.35 123.63 2khp s TYR 11 Ca 0.00 -0.77 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 2khp s TYR 11 Cb -0.13 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 2khp s TYR 11 CO 0.03 -0.47 0.13 0.25 -1.11 0.00 0.00 175.55 174.38 2khp n THR 12 N 4.76 0.00 -3.76 -0.71 -2.24 -0.40 -1.57 114.28 110.36 2khp n THR 12 Ca -0.18 -1.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.02 2khp n THR 12 Cb 0.51 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.90 1.05 -0.63 -0.78 1.70 -1.26 -0.70 118.95 115.43 2khp s ARG 13 Ca 0.19 -0.87 -0.26 0.00 -0.47 0.00 0.00 55.73 54.31 2khp s ARG 13 Cb 0.01 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 2khp s ARG 13 CO 0.13 -0.39 1.87 -1.25 -1.08 0.00 0.00 175.30 174.58 2khp s PRO 14 N -3.85 2.62 0.00 3.89 0.04 -1.26 -2.38 135.00 134.06 2khp s PRO 14 Ca 0.06 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2khp s PRO 14 Cb 0.03 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2khp s PRO 14 CO -0.09 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2khp n GLY 15 N 5.77 1.62 3.46 0.56 0.00 -1.26 -5.10 105.19 110.24 2khp n GLY 15 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 8.81 0.02 -0.06 0.00 0.13 -1.99 -3.04 132.00 135.88 2khp h PRO 17 Ca -0.27 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2khp h PRO 17 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2khp h PRO 17 CO 0.86 0.51 0.15 1.88 -0.23 0.00 0.00 178.00 181.16 2khp h TYR 18 N -0.46 0.00 0.03 1.56 0.05 -1.98 -1.92 116.97 114.25 2khp h TYR 18 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2khp h TYR 18 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2khp h TYR 18 CO 0.10 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.19 2khp h ALA 20 N 0.28 0.35 -0.02 0.00 0.00 -1.32 0.30 119.26 118.86 2khp h ALA 20 Ca -0.00 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2khp h ALA 20 Cb 0.58 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2khp h ALA 20 CO 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 179.25 178.74 2khp h ARG 21 N 0.01 -0.14 0.07 0.00 2.47 -1.61 -1.15 114.38 114.05 2khp h ARG 21 Ca 0.25 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.00 2khp h ARG 21 Cb 0.38 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 2khp h ARG 21 CO -0.51 -0.09 -0.27 0.00 0.56 0.00 0.00 179.97 179.66 2khp h ALA 22 N 0.85 -0.43 -0.64 0.04 0.00 -1.06 0.30 119.26 118.33 2khp h ALA 22 Ca 0.04 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2khp h ALA 22 Cb 0.19 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2khp h ALA 22 CO -0.10 -0.80 0.20 0.87 0.00 0.00 0.00 179.25 179.42 2khp h LYS 23 N -0.46 0.34 -0.40 0.00 1.57 -0.80 0.36 116.57 117.19 2khp h LYS 23 Ca 0.04 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2khp h LYS 23 Cb 0.51 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2khp h LYS 23 CO -0.19 0.22 0.07 0.00 -0.57 0.00 0.00 179.45 178.99 2khp h ALA 24 N 1.48 1.38 -0.23 3.86 0.00 -0.66 0.98 119.26 126.07 2khp h ALA 24 Ca 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2khp h ALA 24 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2khp h ALA 24 CO -0.37 0.44 0.02 1.25 0.00 0.00 0.00 179.25 180.59 2khp h LEU 25 N 0.58 0.38 -0.48 0.00 7.12 0.11 0.23 115.31 123.25 2khp h LEU 25 Ca 0.13 -0.28 -0.17 0.00 0.13 0.00 0.00 57.88 57.69 2khp h LEU 25 Cb 0.26 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2khp h LEU 25 CO 0.00 0.57 -0.56 -0.07 -0.13 0.00 0.00 178.44 178.25 2khp h LEU 26 N 0.18 0.66 -0.77 2.25 3.38 -0.99 -3.02 115.31 117.00 2khp h LEU 26 Ca 0.07 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2khp h LEU 26 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2khp h LEU 26 CO 0.01 1.09 -0.39 0.00 0.09 0.00 0.00 178.44 179.23 2khp h ALA 27 N 0.93 0.93 -0.31 1.53 0.00 -0.73 -2.40 119.26 119.20 2khp h ALA 27 Ca 0.01 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.63 2khp h ALA 27 Cb 1.11 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2khp h ALA 27 CO 0.11 0.49 -0.20 -0.09 0.00 0.00 0.00 179.25 179.56 2khp h ARG 28 N 0.00 -0.16 0.00 0.00 2.43 -0.39 0.15 114.38 116.42 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 30.57 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 -0.16 0.00 0.00 0.20 2.10 -1.67 -3.46 116.57 113.57 2khp h LYS 29 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2khp h LYS 29 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2khp h LYS 29 CO -0.41 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.45 2khp n GLY 30 N 0.34 0.94 3.63 0.07 0.00 0.54 -5.05 105.19 105.66 2khp n GLY 30 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 3.29 0.39 4.61 0.00 -0.91 -4.97 121.76 122.17 2khp s ALA 31 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.14 2khp s ALA 31 Cb 0.00 -3.84 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 2khp s ALA 31 CO 0.00 -1.91 1.04 -1.21 0.00 0.00 0.00 175.76 173.68 2khp s GLU 32 N 4.59 4.21 -0.13 0.00 0.41 -1.26 -4.23 118.70 122.29 2khp s GLU 32 Ca 0.69 1.50 -0.17 0.00 -0.41 0.00 0.00 54.97 56.58 2khp s GLU 32 Cb -0.24 -2.57 0.04 0.00 -1.78 0.00 0.00 34.13 29.59 2khp s GLU 32 CO 0.28 -0.10 0.45 -0.59 -0.49 0.00 0.00 175.26 174.81 2khp s PHE 33 N -1.65 -0.45 -0.18 1.61 -0.12 -1.26 -4.60 117.98 111.33 2khp s PHE 33 Ca 0.57 1.01 -0.29 0.00 -0.05 0.00 0.00 56.93 58.17 2khp s PHE 33 Cb -0.22 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 2khp s PHE 33 CO 0.27 -0.31 1.43 1.21 -0.05 0.00 0.00 175.22 177.77 2khp s ASN 34 N -0.24 6.72 -0.42 1.98 3.84 0.31 -4.83 114.94 122.30 2khp s ASN 34 Ca -0.04 1.71 -0.25 0.00 0.21 0.00 0.00 52.86 54.49 2khp s ASN 34 Cb -0.03 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.15 2khp s ASN 34 CO 0.02 -0.96 0.89 -0.70 -2.79 0.00 0.00 177.10 173.56 2khp s GLU 35 N 3.98 3.62 0.09 0.43 2.12 -1.26 -0.62 118.70 127.06 2khp s GLU 35 Ca 0.62 0.25 0.07 0.00 0.36 0.00 0.00 54.97 56.28 2khp s GLU 35 Cb -0.24 -3.88 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 2khp s GLU 35 CO 0.22 -1.09 -0.19 0.42 -0.54 0.00 0.00 175.26 174.08 2khp s ILE 36 N 3.53 1.58 0.19 -3.70 1.01 -0.37 -5.00 121.20 118.45 2khp s ILE 36 Ca 0.36 -1.44 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 2khp s ILE 36 Cb -0.11 -1.44 -0.07 0.00 0.01 0.00 0.00 42.46 40.85 2khp s ILE 36 CO 0.23 -0.05 0.49 -1.81 0.00 0.00 0.00 174.94 173.79 2khp s ASP 37 N -1.76 6.61 -0.12 3.58 1.01 -1.26 -1.28 116.67 123.44 2khp s ASP 37 Ca 0.05 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.15 2khp s ASP 37 Cb -0.10 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.56 2khp s ASP 37 CO 0.03 -0.00 -0.10 0.00 0.21 0.00 0.00 175.17 175.31 2khp n ALA 38 N 0.10 1.73 1.88 5.23 0.00 0.12 -4.52 120.51 125.05 2khp n ALA 38 Ca -0.02 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.03 2khp n ALA 38 Cb 0.52 0.20 0.80 0.00 0.00 0.00 0.00 19.45 20.98 2khp n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2khp n SER 39 N -2.84 0.34 -0.24 0.00 7.64 -1.26 -1.95 113.62 115.31 2khp n SER 39 Ca -0.22 -1.17 -0.08 0.00 1.01 0.00 0.00 58.87 58.42 2khp n SER 39 Cb 0.74 -0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.97 2khp n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khp h ALA 40 N 4.02 0.89 -2.29 -0.43 0.00 -1.89 -3.45 119.26 116.10 2khp h ALA 40 Ca 0.00 -0.25 -0.38 0.00 0.00 0.00 0.00 54.91 54.28 2khp h ALA 40 Cb 0.11 -0.26 -0.15 0.00 0.00 0.00 0.00 17.79 17.50 2khp h ALA 40 CO 0.00 0.61 -0.73 0.95 0.00 0.00 0.00 179.25 180.09 2khp s THR 41 N -5.29 1.40 0.09 0.00 -4.23 -1.25 -5.06 115.64 101.30 2khp s THR 41 Ca -0.12 -2.08 -0.16 0.00 -1.18 0.00 0.00 61.69 58.15 2khp s THR 41 Cb 0.14 -1.89 -0.09 0.00 1.34 0.00 0.00 72.50 72.00 2khp s THR 41 CO 0.84 -0.66 1.41 1.55 -0.54 0.00 0.00 174.62 177.22 2khp h PRO 42 N 2.77 0.65 0.06 3.99 0.13 -1.87 -1.13 132.00 136.59 2khp h PRO 42 Ca -0.37 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.41 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 0.62 0.95 -0.03 0.93 -0.23 0.00 0.00 178.00 180.24 2khp h GLU 43 N 0.38 -0.07 0.00 0.86 5.08 -1.97 0.32 114.58 119.17 2khp h GLU 43 Ca 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2khp h GLU 43 Cb 0.83 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2khp h GLU 43 CO 0.07 0.13 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.86 2khp h LEU 44 N -0.26 0.00 -0.31 1.33 3.38 -1.82 -2.55 115.31 115.09 2khp h LEU 44 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 2khp h LEU 44 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2khp h LEU 44 CO 0.01 0.27 -0.84 -0.09 0.09 0.00 0.00 178.44 177.89 2khp h ARG 45 N 0.00 0.33 0.38 1.13 2.43 -0.52 -3.17 114.38 114.95 2khp h ARG 45 Ca -0.00 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 2khp h ARG 45 Cb 0.50 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2khp h ARG 45 CO 0.04 1.00 -0.18 0.00 -1.51 0.00 0.00 179.97 179.31 2khp h ALA 46 N 0.90 -0.51 -0.84 2.80 0.00 -0.53 -2.81 119.26 118.28 2khp h ALA 46 Ca -0.05 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.91 2khp h ALA 46 Cb 1.44 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 2khp h ALA 46 CO 0.14 -0.68 0.58 1.05 0.00 0.00 0.00 179.25 180.34 2khp h GLU 47 N -0.71 0.19 -0.65 0.00 4.11 -1.59 0.16 114.58 116.09 2khp h GLU 47 Ca -0.05 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.29 2khp h GLU 47 Cb 0.50 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2khp h GLU 47 CO 0.08 0.13 0.11 1.98 0.07 0.00 0.00 179.01 181.38 2khp h MET 48 N 0.20 1.06 0.00 1.06 4.05 -1.47 -2.35 114.93 117.47 2khp h MET 48 Ca 0.42 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 2khp h MET 48 Cb 1.35 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2khp h MET 48 CO -0.09 0.96 -0.07 1.96 0.23 0.00 0.00 176.91 179.91 2khp h GLN 49 N 0.99 0.00 -0.05 0.39 4.20 -0.52 0.26 115.11 120.39 2khp h GLN 49 Ca 0.20 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 2khp h GLN 49 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2khp h GLN 49 CO 0.01 0.07 -0.37 1.49 -0.67 0.00 0.00 178.83 179.36 2khp h GLU 50 N 0.00 0.10 0.00 1.46 4.57 -0.82 0.35 114.58 120.24 2khp h GLU 50 Ca -0.00 -0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 57.88 2khp h GLU 50 Cb 0.76 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 2khp h GLU 50 CO 0.01 0.46 -2.00 0.54 -1.18 0.00 0.00 179.01 176.84 2khp n ARG 51 N -4.08 0.87 0.11 1.92 1.74 -1.14 -4.60 116.66 111.48 2khp n ARG 51 Ca -0.02 0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 56.95 2khp n ARG 51 Cb 0.42 -1.36 -0.13 0.00 -1.02 0.00 0.00 32.46 30.38 2khp n ARG 51 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2khp h SER 52 N 0.00 0.59 -3.59 0.55 0.87 -0.55 -3.48 113.55 107.94 2khp h SER 52 Ca -0.39 -0.60 -0.40 0.00 -1.23 0.00 0.00 61.79 59.17 2khp h SER 52 Cb 1.70 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 63.47 2khp h SER 52 CO -0.03 1.45 -0.55 0.61 -0.53 0.00 0.00 176.83 177.78 2khp n GLY 53 N 1.47 -0.51 3.57 5.77 0.00 0.12 -4.95 105.19 110.67 2khp n GLY 53 Ca -0.11 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.28 1.88 0.05 1.61 1.81 -1.26 -5.08 118.95 112.68 2khp s ARG 54 Ca 0.11 -1.57 -0.13 0.00 -1.72 0.00 0.00 55.73 52.41 2khp s ARG 54 Cb -0.05 0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 34.89 2khp s ARG 54 CO 0.13 -0.80 1.22 -2.95 -0.68 0.00 0.00 175.30 172.22 2khp h ASN 55 N 2.13 -0.74 -2.63 0.23 -1.07 -1.98 -3.43 115.58 108.08 2khp h ASN 55 Ca -0.28 0.10 0.12 0.00 0.07 0.00 0.00 56.30 56.30 2khp h ASN 55 Cb 1.24 0.30 -0.28 0.00 -2.07 0.00 0.00 38.32 37.52 2khp h ASN 55 CO 0.38 -0.16 0.49 0.42 0.07 0.00 0.00 177.43 178.63 2khp s THR 56 N -4.04 0.00 0.11 6.14 -4.23 -1.26 -4.92 115.64 107.43 2khp s THR 56 Ca -0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 2khp s THR 56 Cb 0.03 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 2khp s THR 56 CO 0.24 0.00 0.17 0.72 -0.54 0.00 0.00 174.62 175.22 2khp s PHE 57 N 0.88 0.33 -0.16 3.99 -0.71 -1.26 -5.09 117.98 115.96 2khp s PHE 57 Ca -0.04 -0.75 -0.29 0.00 -1.04 0.00 0.00 56.93 54.80 2khp s PHE 57 Cb -0.04 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 2khp s PHE 57 CO -0.12 -0.57 1.56 -1.25 -1.34 0.00 0.00 175.22 173.51 2khp s PRO 58 N -3.91 3.99 -0.15 1.99 0.04 -1.26 -4.79 135.00 130.90 2khp s PRO 58 Ca 0.10 1.82 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 2khp s PRO 58 Cb 0.05 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 2khp s PRO 58 CO -0.07 -1.05 0.32 -0.65 0.04 0.00 0.00 177.00 175.58 2khp s GLN 59 N 4.27 4.26 -0.39 4.56 1.11 -0.61 -3.19 119.66 129.67 2khp s GLN 59 Ca 0.69 0.14 -0.02 0.00 0.01 0.00 0.00 55.36 56.18 2khp s GLN 59 Cb -0.27 -3.42 0.11 0.00 -1.01 0.00 0.00 33.01 28.42 2khp s GLN 59 CO 0.27 0.23 0.17 0.42 0.01 0.00 0.00 175.29 176.39 2khp s ILE 60 N 0.47 3.09 -0.38 1.08 -1.09 0.87 -1.40 121.20 123.84 2khp s ILE 60 Ca 0.18 -2.10 -0.16 0.00 -2.23 0.00 0.00 60.65 56.33 2khp s ILE 60 Cb -0.13 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.61 2khp s ILE 60 CO 0.05 -0.66 0.41 -0.36 -1.23 0.00 0.00 174.94 173.14 2khp s PHE 61 N 1.10 3.19 -0.26 3.97 0.08 -0.09 -0.31 117.98 125.66 2khp s PHE 61 Ca 0.09 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.91 2khp s PHE 61 Cb -0.22 -2.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.47 2khp s PHE 61 CO -0.05 -0.57 -0.03 0.42 -0.10 0.00 0.00 175.22 174.88 2khp s ILE 62 N 2.09 2.99 0.00 0.64 1.01 -0.21 -1.31 121.20 126.41 2khp s ILE 62 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2khp s ILE 62 Cb -0.17 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2khp s ILE 62 CO 0.13 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2khp n GLY 63 N 4.67 1.25 0.01 6.18 0.00 -1.15 -1.57 105.19 114.58 2khp n GLY 63 Ca -0.15 0.27 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 10.53 2.02 -4.33 1.61 7.64 -1.24 -4.85 113.62 124.99 2khp n SER 64 Ca 0.00 -2.07 -0.25 0.00 1.01 0.00 0.00 58.87 57.56 2khp n SER 64 Cb 0.00 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.13 1.93 -0.52 0.44 1.01 -0.61 -5.11 120.40 116.42 2khp s VAL 65 Ca 0.02 -1.73 -0.13 0.00 0.00 0.00 0.00 61.98 60.14 2khp s VAL 65 Cb 0.02 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.75 2khp s VAL 65 CO 0.00 -0.09 0.44 -2.28 0.00 0.00 0.00 175.10 173.17 2khp s HIS 66 N -1.40 3.34 0.00 5.22 2.46 -1.26 -1.04 115.29 122.61 2khp s HIS 66 Ca 0.12 -1.59 0.00 0.00 0.47 0.00 0.00 55.06 54.06 2khp s HIS 66 Cb -0.09 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.70 2khp s HIS 66 CO 0.06 -1.01 0.61 0.28 -2.47 0.00 0.00 174.74 172.21 2khp n VAL 67 N 5.05 0.00 0.00 0.89 0.31 0.58 -4.98 118.33 120.18 2khp n VAL 67 Ca -0.10 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 2khp n VAL 67 Cb 0.40 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.72 -0.96 0.00 2.92 0.00 -1.22 -4.95 105.19 100.27 2khp n GLY 68 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 4.24 0.26 -0.02 0.00 -1.19 -0.09 105.19 108.39 2khp n GLY 69 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.38 -0.07 0.25 0.00 3.58 -1.95 0.25 116.42 118.86 2khp h ASP 71 Ca 0.37 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.85 2khp h ASP 71 Cb 0.55 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2khp h ASP 71 CO -0.40 -0.01 -0.12 0.44 -2.88 0.00 0.00 179.24 176.28 2khp h ASP 72 N 0.06 -0.28 -0.91 2.28 5.19 -1.66 0.67 116.42 121.77 2khp h ASP 72 Ca 0.09 -0.13 0.10 0.00 -0.62 0.00 0.00 57.03 56.47 2khp h ASP 72 Cb 0.11 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.61 2khp h ASP 72 CO -0.15 -0.03 0.55 0.25 -3.12 0.00 0.00 179.24 176.74 2khp h LEU 73 N -0.54 0.80 -0.70 1.55 5.85 -0.46 0.28 115.31 122.09 2khp h LEU 73 Ca -0.03 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 2khp h LEU 73 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2khp h LEU 73 CO 0.06 0.45 -0.55 1.88 -0.34 0.00 0.00 178.44 179.93 2khp h TYR 74 N 0.90 0.36 -0.00 1.25 -1.99 -0.38 -1.10 116.97 116.00 2khp h TYR 74 Ca 0.44 -0.13 -0.16 0.00 2.00 0.00 0.00 58.73 60.89 2khp h TYR 74 Cb 0.40 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 2khp h TYR 74 CO -0.03 0.78 -0.74 0.00 -0.00 0.00 0.00 178.16 178.16 2khp h ALA 75 N 1.20 0.77 0.00 3.88 0.00 0.66 -2.98 119.26 122.79 2khp h ALA 75 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 2khp h ALA 75 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2khp h ALA 75 CO 0.09 0.90 -0.00 -0.07 0.00 0.00 0.00 179.25 180.17 2khp h LEU 76 N 0.02 -0.00 -2.01 0.00 -0.00 -0.40 -3.29 115.31 109.64 2khp h LEU 76 Ca -0.01 -0.92 0.14 0.00 -0.00 0.00 0.00 57.88 57.09 2khp h LEU 76 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.94 2khp h LEU 76 CO 0.10 0.93 0.36 1.05 -0.00 0.00 0.00 178.44 180.87 2khp h GLU 77 N -0.94 0.00 0.00 1.13 -0.00 -1.29 0.34 114.58 113.82 2khp h GLU 77 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 2khp h GLU 77 Cb 0.92 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.67 2khp h GLU 77 CO 0.00 0.00 -0.12 0.22 -0.00 0.00 0.00 179.01 179.11 2khp h ASP 78 N 0.00 0.00 0.00 3.06 3.58 -1.58 -2.77 116.42 118.70 2khp h ASP 78 Ca 0.23 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2khp h ASP 78 Cb 0.94 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2khp h ASP 78 CO -0.00 0.12 -1.74 -0.62 -2.88 0.00 0.00 179.24 174.12 2khp n GLU 79 N -3.77 0.56 -1.44 0.28 1.02 0.84 -5.01 120.64 113.13 2khp n GLU 79 Ca -0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2khp n GLU 79 Cb 0.23 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.65 0.71 0.10 0.62 0.00 0.69 -4.97 105.19 104.00 2khp n GLY 80 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.00 1.61 1.79 -1.82 -3.36 116.57 113.79 2khp h LYS 81 Ca 0.00 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 2khp h LYS 81 Cb 0.67 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.21 2khp h LYS 81 CO 0.00 0.22 0.62 -0.07 -1.08 0.00 0.00 179.45 179.13 2khp h LEU 82 N 0.00 0.79 -0.62 2.94 3.38 -1.94 0.50 115.31 120.36 2khp h LEU 82 Ca -0.11 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2khp h LEU 82 Cb 1.41 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2khp h LEU 82 CO 0.03 0.30 0.28 0.44 0.09 0.00 0.00 178.44 179.58 2khp h ASP 83 N 0.78 0.35 1.06 -0.43 5.19 -1.95 -0.55 116.42 120.88 2khp h ASP 83 Ca 0.57 0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.91 2khp h ASP 83 Cb 0.87 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 2khp h ASP 83 CO -0.36 0.22 -0.58 0.28 -3.12 0.00 0.00 179.24 175.67 2khp h SER 84 N 0.51 0.00 -0.42 6.45 0.02 -1.27 -1.76 113.55 117.07 2khp h SER 84 Ca 0.30 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2khp h SER 84 Cb 0.31 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2khp h SER 84 CO -0.25 0.58 0.00 -0.07 -1.14 0.00 0.00 176.83 175.95 2khp h LEU 85 N 0.00 0.73 0.00 5.07 3.38 0.27 0.24 115.31 125.00 2khp h LEU 85 Ca -0.01 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2khp h LEU 85 Cb 1.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2khp h LEU 85 CO 0.08 0.86 -0.69 0.17 0.09 0.00 0.00 178.44 178.95 2khp h LEU 86 N 0.58 0.00 0.02 1.67 8.10 -1.18 0.24 115.31 124.75 2khp h LEU 86 Ca 0.12 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.05 2khp h LEU 86 Cb 0.49 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2khp h LEU 86 CO 0.02 0.42 -0.25 0.11 -4.11 0.00 0.00 178.44 174.64 2khp h LYS 87 N 0.00 0.13 0.12 0.17 1.57 -1.18 -3.26 116.57 114.12 2khp h LYS 87 Ca -0.04 -0.17 -0.35 0.00 -1.87 0.00 0.00 60.65 58.22 2khp h LYS 87 Cb 1.36 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2khp h LYS 87 CO 0.05 0.99 -1.92 1.79 -0.57 0.00 0.00 179.45 179.79 2khp h THR 88 N -0.66 0.70 0.00 -0.16 1.35 -0.65 -3.34 112.91 110.16 2khp h THR 88 Ca -0.04 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 2khp h THR 88 Cb 1.10 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 2khp h THR 88 CO 0.05 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 2khp n GLY 89 N 1.92 0.82 3.55 5.82 0.00 0.85 -4.87 105.19 113.28 2khp n GLY 89 Ca -0.29 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.92 0.74 -0.06 1.61 0.00 -1.21 -3.61 119.74 116.30 2khp s LYS 90 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 55.97 55.75 2khp s LYS 90 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 37.83 38.13 2khp s LYS 90 CO 0.00 -0.25 1.45 -0.51 0.00 0.00 0.00 175.35 176.04 2khp s LEU 91 N -1.40 4.28 0.00 2.77 1.43 -1.26 -4.59 118.68 119.92 2khp s LEU 91 Ca -0.02 2.05 0.29 0.00 -1.03 0.00 0.00 54.13 55.42 2khp s LEU 91 Cb -0.00 -3.55 1.73 0.00 0.03 0.00 0.00 46.19 44.40 2khp s LEU 91 CO 0.01 -0.80 2.07 -0.38 0.23 0.00 0.00 176.35 177.48