#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 3.60 0.00 1.61 0.04 -1.26 -4.39 135.00 134.59 2khp s PRO 2 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2khp s PRO 2 Cb 0.00 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2khp s PRO 2 CO 0.00 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2khp n GLY 3 N 0.32 1.34 3.36 0.56 0.00 -1.26 -5.13 105.19 104.38 2khp n GLY 3 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2khp n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khp s SER 4 N -2.00 1.23 -0.20 1.61 0.01 -1.26 -5.18 113.70 107.91 2khp s SER 4 Ca 0.00 -1.61 -0.29 0.00 1.31 0.00 0.00 55.95 55.36 2khp s SER 4 Cb 0.00 0.58 0.13 0.00 0.21 0.00 0.00 66.02 66.94 2khp s SER 4 CO 0.00 -1.13 1.02 -0.32 0.41 0.00 0.00 173.24 173.22 2khp s MET 5 N -3.37 0.55 0.27 12.44 1.75 -1.26 -4.89 119.30 124.78 2khp s MET 5 Ca 0.37 0.27 0.09 0.00 -1.25 0.00 0.00 55.69 55.16 2khp s MET 5 Cb 0.02 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.91 2khp s MET 5 CO 0.23 -0.14 0.05 0.14 -0.65 0.00 0.00 175.02 174.65 2khp s VAL 6 N -0.70 3.67 -0.27 10.11 -7.23 -1.22 -5.06 120.40 119.70 2khp s VAL 6 Ca -0.00 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 2khp s VAL 6 Cb -0.02 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 2khp s VAL 6 CO -0.01 -0.36 1.64 -1.81 -0.31 0.00 0.00 175.10 174.25 2khp s ASP 7 N -3.72 6.25 -0.17 4.85 1.11 -1.26 -4.75 116.67 118.98 2khp s ASP 7 Ca 0.32 1.46 -0.04 0.00 0.18 0.00 0.00 52.55 54.46 2khp s ASP 7 Cb -0.07 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 2khp s ASP 7 CO 0.21 -1.39 -0.02 -0.69 1.18 0.00 0.00 175.17 174.47 2khp s VAL 8 N 5.64 3.98 -0.06 -1.27 1.01 -1.26 -2.76 120.40 125.68 2khp s VAL 8 Ca 0.72 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.43 2khp s VAL 8 Cb -0.23 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2khp s VAL 8 CO 0.31 0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 175.05 2khp s ILE 9 N 0.58 1.68 -0.05 2.22 1.01 -0.23 -1.49 121.20 124.92 2khp s ILE 9 Ca -0.02 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.85 2khp s ILE 9 Cb -0.14 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2khp s ILE 9 CO 0.02 0.48 -0.22 -0.51 0.00 0.00 0.00 174.94 174.71 2khp s ILE 10 N 0.08 1.77 -0.23 2.92 2.07 -0.47 0.03 121.20 127.37 2khp s ILE 10 Ca -0.07 -0.92 -0.02 0.00 -1.41 0.00 0.00 60.65 58.23 2khp s ILE 10 Cb -0.13 -1.50 0.01 0.00 0.13 0.00 0.00 42.46 40.96 2khp s ILE 10 CO 0.04 0.50 -0.06 -0.31 -1.91 0.00 0.00 174.94 173.19 2khp s TYR 11 N -0.13 2.99 0.24 3.50 1.51 -0.38 -1.14 117.35 123.94 2khp s TYR 11 Ca -0.02 -1.31 0.01 0.00 -1.01 0.00 0.00 57.07 54.74 2khp s TYR 11 Cb -0.12 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2khp s TYR 11 CO 0.03 -0.66 0.14 0.95 -1.11 0.00 0.00 175.55 174.89 2khp s THR 12 N 1.39 0.14 0.20 -0.71 -4.23 -0.57 -1.29 115.64 110.57 2khp s THR 12 Ca 0.03 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2khp s THR 12 Cb -0.15 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 2khp s THR 12 CO -0.05 0.00 -0.23 0.00 -0.54 0.00 0.00 174.62 173.81 2khp s ARG 13 N -4.02 1.50 -0.93 3.99 1.04 -1.26 -1.82 118.95 117.45 2khp s ARG 13 Ca 0.39 -1.54 -0.23 0.00 -1.04 0.00 0.00 55.73 53.31 2khp s ARG 13 Cb 0.06 -1.75 -0.14 0.00 -2.04 0.00 0.00 34.95 31.09 2khp s ARG 13 CO 0.15 0.37 1.92 -0.35 -0.04 0.00 0.00 175.30 177.34 2khp n PRO 14 N 0.14 1.49 0.00 3.89 -0.04 -1.26 -3.64 135.00 135.59 2khp n PRO 14 Ca -0.11 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2khp n PRO 14 Cb 0.57 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 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 5.11 -0.09 2.98 0.55 0.00 -1.26 -5.16 105.19 107.32 2khp n GLY 15 Ca 0.47 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 7.94 0.48 -0.91 0.00 0.13 -2.00 -2.97 132.00 134.67 2khp h PRO 17 Ca -0.23 -0.25 0.19 0.00 -0.87 0.00 0.00 66.00 64.84 2khp h PRO 17 Cb 1.13 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 2khp h PRO 17 CO 0.22 0.83 0.60 1.88 -0.23 0.00 0.00 178.00 181.29 2khp h TYR 18 N 0.15 0.63 -0.04 1.56 0.05 -2.00 -1.24 116.97 116.08 2khp h TYR 18 Ca 0.03 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 2khp h TYR 18 Cb 0.74 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 2khp h TYR 18 CO 0.08 0.17 -0.07 0.00 -1.05 0.00 0.00 178.16 177.29 2khp h ALA 20 N 0.48 1.29 -0.18 0.00 0.00 -1.08 0.24 119.26 120.00 2khp h ALA 20 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2khp h ALA 20 Cb 0.62 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2khp h ALA 20 CO 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 179.25 178.90 2khp h ARG 21 N 0.41 0.38 0.62 0.00 -0.00 -1.43 -0.70 114.38 113.66 2khp h ARG 21 Ca 0.51 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.98 59.80 2khp h ARG 21 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.85 2khp h ARG 21 CO -0.49 0.67 -0.33 0.00 0.00 0.00 0.00 179.97 179.81 2khp h ALA 22 N 0.70 -0.88 -0.26 0.04 0.00 -0.70 -0.78 119.26 117.37 2khp h ALA 22 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2khp h ALA 22 Cb 0.54 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2khp h ALA 22 CO 0.02 -1.00 0.08 0.87 0.00 0.00 0.00 179.25 179.22 2khp h LYS 23 N -0.88 0.19 -0.72 0.00 1.57 -0.66 -0.83 116.57 115.24 2khp h LYS 23 Ca -0.08 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2khp h LYS 23 Cb 0.69 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 2khp h LYS 23 CO 0.12 0.13 0.33 0.00 -0.57 0.00 0.00 179.45 179.45 2khp h ALA 24 N 1.17 0.99 -0.02 3.86 0.00 -1.03 0.24 119.26 124.47 2khp h ALA 24 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2khp h ALA 24 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2khp h ALA 24 CO -0.13 -0.11 0.00 1.25 0.00 0.00 0.00 179.25 180.27 2khp h LEU 25 N 0.54 0.04 -1.63 0.00 5.85 -0.62 -1.66 115.31 117.84 2khp h LEU 25 Ca 0.37 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2khp h LEU 25 Cb 0.45 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2khp h LEU 25 CO -0.31 0.28 0.17 -0.07 -0.34 0.00 0.00 178.44 178.16 2khp h LEU 26 N -0.20 0.37 -0.78 2.25 3.38 -0.59 -1.19 115.31 118.55 2khp h LEU 26 Ca 0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2khp h LEU 26 Cb 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2khp h LEU 26 CO 0.00 0.30 -0.43 0.00 0.09 0.00 0.00 178.44 178.40 2khp h ALA 27 N 1.76 0.93 -0.11 1.53 0.00 -0.33 -2.43 119.26 120.61 2khp h ALA 27 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2khp h ALA 27 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2khp h ALA 27 CO -0.02 0.54 0.05 -0.09 0.00 0.00 0.00 179.25 179.73 2khp h ARG 28 N 0.00 0.16 0.00 0.00 2.43 -0.24 -2.15 114.38 114.59 2khp h ARG 28 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2khp h ARG 28 Cb 1.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2khp h ARG 28 CO 0.06 0.24 0.00 1.57 -1.51 0.00 0.00 179.97 180.33 2khp h LYS 29 N 0.05 0.00 0.00 0.20 2.10 -1.55 -3.46 116.57 113.91 2khp h LYS 29 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2khp h LYS 29 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2khp h LYS 29 CO -0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 2khp n GLY 30 N -0.29 0.73 3.59 0.07 0.00 -0.81 -5.05 105.19 103.44 2khp n GLY 30 Ca 0.01 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 3.47 0.36 4.61 0.00 -0.92 -5.03 121.76 122.26 2khp s ALA 31 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 2khp s ALA 31 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2khp s ALA 31 CO 0.00 -1.35 0.96 -1.21 0.00 0.00 0.00 175.76 174.16 2khp s GLU 32 N 2.96 4.43 -0.09 0.00 0.41 -1.26 -4.42 118.70 120.73 2khp s GLU 32 Ca 0.30 1.30 -0.17 0.00 -0.41 0.00 0.00 54.97 55.99 2khp s GLU 32 Cb -0.14 -2.60 0.04 0.00 -1.78 0.00 0.00 34.13 29.65 2khp s GLU 32 CO 0.15 0.14 0.42 -0.59 -0.49 0.00 0.00 175.26 174.89 2khp s PHE 33 N -1.77 -0.38 -0.20 1.61 -0.12 -1.26 -4.71 117.98 111.15 2khp s PHE 33 Ca 0.54 0.81 -0.29 0.00 -0.05 0.00 0.00 56.93 57.94 2khp s PHE 33 Cb -0.17 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2khp s PHE 33 CO 0.22 -0.34 1.25 1.21 -0.05 0.00 0.00 175.22 177.50 2khp s ASN 34 N -0.58 6.89 -0.21 1.98 3.84 -0.56 -4.89 114.94 121.42 2khp s ASN 34 Ca -0.07 1.54 -0.24 0.00 0.21 0.00 0.00 52.86 54.30 2khp s ASN 34 Cb -0.04 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 2khp s ASN 34 CO 0.03 -0.83 0.79 -0.70 -2.79 0.00 0.00 177.10 173.60 2khp s GLU 35 N 3.63 4.22 0.03 0.43 2.12 -1.26 -1.37 118.70 126.50 2khp s GLU 35 Ca 0.54 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.81 2khp s GLU 35 Cb -0.20 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 2khp s GLU 35 CO 0.16 -0.41 -0.15 0.42 -0.54 0.00 0.00 175.26 174.73 2khp s ILE 36 N 2.46 1.21 0.36 -3.70 1.01 -0.29 -4.99 121.20 117.26 2khp s ILE 36 Ca 0.34 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2khp s ILE 36 Cb -0.16 -1.07 -0.10 0.00 0.01 0.00 0.00 42.46 41.14 2khp s ILE 36 CO 0.09 0.11 0.89 -1.81 0.00 0.00 0.00 174.94 174.23 2khp s ASP 37 N -0.96 7.04 -0.07 3.58 1.01 -1.26 -1.52 116.67 124.49 2khp s ASP 37 Ca 0.04 1.64 0.00 0.00 0.71 0.00 0.00 52.55 54.94 2khp s ASP 37 Cb -0.07 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2khp s ASP 37 CO 0.01 -0.21 -0.06 0.00 0.21 0.00 0.00 175.17 175.11 2khp n ALA 38 N -0.12 1.87 0.64 5.23 0.00 -0.75 -4.62 120.51 122.75 2khp n ALA 38 Ca 0.04 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2khp n ALA 38 Cb 0.52 0.34 0.41 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.72 0.78 -0.20 0.00 7.64 -1.26 -1.27 113.62 116.59 2khp n SER 39 Ca -0.12 0.58 0.25 0.00 1.01 0.00 0.00 58.87 60.58 2khp n SER 39 Cb 0.63 -0.79 0.64 0.00 -1.01 0.00 0.00 64.21 63.68 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 2.54 2.58 -2.29 -0.43 0.00 -1.91 -3.42 119.26 116.32 2khp h ALA 40 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2khp h ALA 40 Cb 0.72 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.39 2khp h ALA 40 CO 0.00 -0.85 -0.69 0.95 0.00 0.00 0.00 179.25 178.66 2khp s THR 41 N -5.16 0.42 0.16 0.00 -4.23 -1.24 -5.06 115.64 100.53 2khp s THR 41 Ca -0.06 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 2khp s THR 41 Cb 0.22 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 2khp s THR 41 CO 0.78 -0.91 1.50 1.55 -0.54 0.00 0.00 174.62 176.99 2khp h PRO 42 N 3.16 0.85 0.00 3.99 0.13 -1.85 -2.51 132.00 135.78 2khp h PRO 42 Ca -0.35 -0.45 -0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2khp h PRO 42 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2khp h PRO 42 CO 0.64 1.09 -0.00 0.93 -0.23 0.00 0.00 178.00 180.43 2khp h GLU 43 N 0.69 -0.00 -0.45 0.86 5.08 -1.97 0.11 114.58 118.90 2khp h GLU 43 Ca 0.05 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2khp h GLU 43 Cb 0.97 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2khp h GLU 43 CO 0.09 0.48 0.30 -0.07 -1.00 0.00 0.00 179.01 178.81 2khp h LEU 44 N -0.48 0.32 0.00 1.33 3.38 -1.78 0.74 115.31 118.82 2khp h LEU 44 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2khp h LEU 44 Cb 0.48 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2khp h LEU 44 CO 0.00 0.21 -0.91 -0.09 0.09 0.00 0.00 178.44 177.73 2khp h ARG 45 N 0.36 0.00 -0.00 1.13 2.43 -0.71 -3.05 114.38 114.54 2khp h ARG 45 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2khp h ARG 45 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2khp h ARG 45 CO -0.05 0.41 -0.02 0.00 -1.51 0.00 0.00 179.97 178.80 2khp h ALA 46 N 1.47 0.00 -0.69 2.80 0.00 0.77 -1.58 119.26 122.03 2khp h ALA 46 Ca -0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2khp h ALA 46 Cb 1.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2khp h ALA 46 CO 0.06 -0.10 0.24 1.05 0.00 0.00 0.00 179.25 180.49 2khp h GLU 47 N -0.72 1.06 0.26 0.00 4.11 -1.07 0.11 114.58 118.32 2khp h GLU 47 Ca -0.00 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 2khp h GLU 47 Cb 0.77 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2khp h GLU 47 CO 0.00 0.90 -0.12 0.52 0.07 0.00 0.00 179.01 180.38 2khp h MET 48 N 1.00 -0.33 0.00 1.06 2.86 -1.63 -2.90 114.93 114.99 2khp h MET 48 Ca 0.23 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2khp h MET 48 Cb 0.27 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2khp h MET 48 CO -0.01 -0.01 0.00 -0.56 1.06 0.00 0.00 176.91 177.39 2khp h GLN 49 N -0.68 0.00 0.00 1.72 3.07 -1.25 -1.57 115.11 116.39 2khp h GLN 49 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 2khp h GLN 49 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 2khp h GLN 49 CO 0.06 0.00 -0.08 1.49 0.09 0.00 0.00 178.83 180.39 2khp h GLU 50 N 0.00 0.00 0.06 0.06 4.81 -0.57 0.12 114.58 119.06 2khp h GLU 50 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2khp h GLU 50 Cb 0.26 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2khp h GLU 50 CO 0.00 0.08 -2.01 0.54 -0.73 0.00 0.00 179.01 176.89 2khp n ARG 51 N -3.19 0.70 0.11 1.92 1.74 -0.61 -4.32 116.66 113.01 2khp n ARG 51 Ca 0.01 0.23 -0.18 0.00 -0.77 0.00 0.00 57.85 57.14 2khp n ARG 51 Cb 0.38 -1.69 -0.13 0.00 -1.02 0.00 0.00 32.46 29.99 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 0.03 0.55 0.00 0.55 0.87 -1.46 -3.48 113.55 110.61 2khp h SER 52 Ca -0.41 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.58 2khp h SER 52 Cb 2.03 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2khp h SER 52 CO 0.06 1.43 0.00 0.61 -0.53 0.00 0.00 176.83 178.40 2khp n GLY 53 N 1.51 0.76 3.68 5.77 0.00 0.41 -5.03 105.19 112.28 2khp n GLY 53 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.31 2.08 0.00 1.61 0.52 -1.24 -5.05 118.95 116.55 2khp s ARG 54 Ca 0.00 -2.28 0.00 0.00 -0.52 0.00 0.00 55.73 52.93 2khp s ARG 54 Cb 0.00 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 34.12 2khp s ARG 54 CO 0.00 -0.32 0.77 -1.71 0.02 0.00 0.00 175.30 174.07 2khp n ASN 55 N -1.19 0.00 -3.65 0.23 5.15 -1.26 -4.72 115.26 109.82 2khp n ASN 55 Ca -0.13 0.77 -0.10 0.00 -0.60 0.00 0.00 54.58 54.52 2khp n ASN 55 Cb 0.67 -0.27 -0.08 0.00 -0.53 0.00 0.00 39.78 39.56 2khp n ASN 55 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2khp s THR 56 N -2.09 -0.00 0.11 -0.44 2.01 -1.26 -4.72 115.64 109.24 2khp s THR 56 Ca 0.00 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 2khp s THR 56 Cb 0.00 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 2khp s THR 56 CO 0.00 0.01 0.17 0.72 -0.69 0.00 0.00 174.62 174.83 2khp s PHE 57 N 1.19 0.32 -0.11 4.92 -0.71 -1.26 -5.12 117.98 117.20 2khp s PHE 57 Ca -0.07 -0.75 -0.29 0.00 -1.04 0.00 0.00 56.93 54.78 2khp s PHE 57 Cb -0.05 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 2khp s PHE 57 CO -0.12 -0.56 1.54 -1.25 -1.34 0.00 0.00 175.22 173.48 2khp s PRO 58 N -3.91 4.13 -0.14 1.99 0.04 -1.26 -4.82 135.00 131.02 2khp s PRO 58 Ca 0.10 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 2khp s PRO 58 Cb 0.05 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 2khp s PRO 58 CO -0.07 -0.89 0.33 -0.65 0.04 0.00 0.00 177.00 175.77 2khp s GLN 59 N 4.00 4.22 -0.33 4.56 1.11 -0.41 -3.34 119.66 129.46 2khp s GLN 59 Ca 0.68 0.18 -0.00 0.00 0.01 0.00 0.00 55.36 56.23 2khp s GLN 59 Cb -0.29 -3.40 0.08 0.00 -1.01 0.00 0.00 33.01 28.39 2khp s GLN 59 CO 0.25 0.27 0.05 0.42 0.01 0.00 0.00 175.29 176.30 2khp s ILE 60 N 0.33 2.82 -0.36 1.08 -1.09 0.12 -1.26 121.20 122.84 2khp s ILE 60 Ca 0.19 -1.80 -0.14 0.00 -2.23 0.00 0.00 60.65 56.67 2khp s ILE 60 Cb -0.14 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 2khp s ILE 60 CO 0.06 -0.36 0.28 -0.36 -1.23 0.00 0.00 174.94 173.32 2khp s PHE 61 N 1.13 3.23 -0.22 3.97 0.08 0.10 -0.08 117.98 126.19 2khp s PHE 61 Ca 0.01 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 2khp s PHE 61 Cb -0.20 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2khp s PHE 61 CO -0.04 -0.44 -0.08 0.42 -0.10 0.00 0.00 175.22 174.98 2khp s ILE 62 N 1.76 2.90 0.00 0.64 1.01 -0.28 -1.06 121.20 126.17 2khp s ILE 62 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2khp s ILE 62 Cb -0.18 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2khp s ILE 62 CO 0.11 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2khp n GLY 63 N 4.71 1.25 0.00 6.18 0.00 -1.11 -1.54 105.19 114.67 2khp n GLY 63 Ca -0.18 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 10.74 1.87 -4.33 1.61 7.64 -1.02 -4.73 113.62 125.41 2khp n SER 64 Ca 0.00 -1.93 -0.25 0.00 1.01 0.00 0.00 58.87 57.70 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 -0.93 1.93 -0.53 0.44 1.01 -0.59 -5.09 120.40 116.63 2khp s VAL 65 Ca 0.00 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 2khp s VAL 65 Cb 0.00 -1.78 0.12 0.00 0.00 0.00 0.00 36.38 34.72 2khp s VAL 65 CO 0.00 -0.08 0.51 -2.28 0.00 0.00 0.00 175.10 173.24 2khp s HIS 66 N -1.37 3.22 0.00 5.22 2.46 -1.26 -1.13 115.29 122.43 2khp s HIS 66 Ca 0.12 -1.19 0.00 0.00 0.47 0.00 0.00 55.06 54.45 2khp s HIS 66 Cb -0.09 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 2khp s HIS 66 CO 0.06 -1.02 0.59 0.28 -2.47 0.00 0.00 174.74 172.18 2khp n VAL 67 N 5.28 0.00 0.00 0.89 0.31 0.88 -4.98 118.33 120.71 2khp n VAL 67 Ca -0.13 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 2khp n VAL 67 Cb 0.41 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 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 -0.70 -0.98 0.00 2.92 0.00 -1.19 -4.94 105.19 100.31 2khp n GLY 68 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 4.25 0.25 -0.02 0.00 -1.21 0.11 105.19 108.56 2khp n GLY 69 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 0.34 -0.08 0.24 0.00 3.58 -1.96 0.25 116.42 118.79 2khp h ASP 71 Ca 0.35 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 2khp h ASP 71 Cb 0.51 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2khp h ASP 71 CO -0.39 -0.02 -0.11 0.44 -2.88 0.00 0.00 179.24 176.28 2khp h ASP 72 N 0.06 -0.27 -0.89 2.28 5.19 -1.67 0.15 116.42 121.27 2khp h ASP 72 Ca 0.09 -0.12 0.10 0.00 -0.62 0.00 0.00 57.03 56.48 2khp h ASP 72 Cb 0.12 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 2khp h ASP 72 CO -0.16 -0.04 0.58 0.25 -3.12 0.00 0.00 179.24 176.75 2khp h LEU 73 N -0.50 0.80 -0.53 1.55 5.85 -0.47 0.24 115.31 122.25 2khp h LEU 73 Ca -0.03 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2khp h LEU 73 Cb 0.37 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2khp h LEU 73 CO 0.05 0.47 -0.62 1.88 -0.34 0.00 0.00 178.44 179.89 2khp h TYR 74 N 0.88 0.54 0.00 1.25 -1.99 -0.31 -1.09 116.97 116.25 2khp h TYR 74 Ca 0.41 -0.21 -0.15 0.00 2.00 0.00 0.00 58.73 60.79 2khp h TYR 74 Cb 0.42 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2khp h TYR 74 CO -0.00 0.93 -0.70 0.00 -0.00 0.00 0.00 178.16 178.38 2khp h ALA 75 N 1.02 0.79 0.01 3.88 0.00 0.44 -2.98 119.26 122.43 2khp h ALA 75 Ca -0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2khp h ALA 75 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2khp h ALA 75 CO 0.11 0.88 -0.09 -0.07 0.00 0.00 0.00 179.25 180.07 2khp h LEU 76 N 0.00 0.06 -1.89 0.00 -0.00 -0.51 -3.26 115.31 109.72 2khp h LEU 76 Ca -0.01 -0.94 0.12 0.00 -0.00 0.00 0.00 57.88 57.06 2khp h LEU 76 Cb 1.29 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 2khp h LEU 76 CO 0.09 0.99 0.35 1.05 -0.00 0.00 0.00 178.44 180.92 2khp h GLU 77 N -0.86 0.12 0.00 1.13 -0.00 -1.28 0.29 114.58 113.98 2khp h GLU 77 Ca -0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.30 2khp h GLU 77 Cb 1.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.73 2khp h GLU 77 CO 0.02 0.08 -0.19 0.22 -0.00 0.00 0.00 179.01 179.14 2khp h ASP 78 N 0.12 0.00 0.01 3.06 1.82 -1.59 -2.62 116.42 117.22 2khp h ASP 78 Ca 0.24 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 2khp h ASP 78 Cb 0.77 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.78 2khp h ASP 78 CO -0.03 0.19 -0.56 -0.62 -1.61 0.00 0.00 179.24 176.61 2khp n GLU 79 N -3.39 0.97 -2.08 0.28 1.02 0.88 -4.96 120.64 113.36 2khp n GLU 79 Ca -0.00 -0.79 -0.20 0.00 -0.02 0.00 0.00 57.16 56.14 2khp n GLU 79 Cb 0.39 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.43 0.46 0.03 0.62 0.00 -0.36 -4.83 105.19 102.54 2khp n GLY 80 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.74 0.68 -0.35 1.61 4.76 -1.19 -4.39 118.16 116.54 2khp n LYS 81 Ca -0.23 -0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.19 2khp n LYS 81 Cb 0.68 -1.50 0.32 0.00 -1.84 0.00 0.00 35.03 32.68 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 0.80 -0.97 -0.35 6.46 -1.89 0.40 115.31 119.76 2khp h LEU 82 Ca -0.13 0.08 0.17 0.00 -0.12 0.00 0.00 57.88 57.88 2khp h LEU 82 Cb 1.27 -0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 41.03 2khp h LEU 82 CO 0.01 0.32 0.57 -0.78 -0.62 0.00 0.00 178.44 177.94 2khp h ASP 83 N 0.80 0.74 1.35 1.25 3.58 -1.92 0.15 116.42 122.37 2khp h ASP 83 Ca 0.55 0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.96 2khp h ASP 83 Cb 0.82 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2khp h ASP 83 CO -0.34 0.28 -0.65 0.28 -2.88 0.00 0.00 179.24 175.94 2khp h SER 84 N 0.75 0.00 -0.48 2.28 0.02 -1.23 -2.56 113.55 112.33 2khp h SER 84 Ca 0.55 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.40 2khp h SER 84 Cb 0.81 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2khp h SER 84 CO -0.37 0.65 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.81 2khp h LEU 85 N 0.00 0.92 0.00 5.07 -0.00 0.12 0.22 115.31 121.64 2khp h LEU 85 Ca -0.01 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.88 57.47 2khp h LEU 85 Cb 1.50 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 2khp h LEU 85 CO 0.08 1.05 -0.46 0.17 -0.00 0.00 0.00 178.44 179.29 2khp h LEU 86 N 0.77 0.00 0.13 1.67 8.10 -1.21 0.27 115.31 125.03 2khp h LEU 86 Ca 0.13 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 57.82 2khp h LEU 86 Cb 0.64 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.86 2khp h LEU 86 CO 0.04 0.23 -1.43 0.11 -4.11 0.00 0.00 178.44 173.28 2khp h LYS 87 N 0.00 0.27 0.06 0.17 1.79 -1.28 -3.24 116.57 114.34 2khp h LYS 87 Ca -0.02 -0.47 -0.37 0.00 -2.18 0.00 0.00 60.65 57.61 2khp h LYS 87 Cb 1.19 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.97 2khp h LYS 87 CO 0.03 1.17 -2.21 0.25 -1.08 0.00 0.00 179.45 177.61 2khp n THR 88 N -3.49 1.62 -1.13 -0.16 -2.24 0.77 -4.34 114.28 105.31 2khp n THR 88 Ca -0.14 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2khp n THR 88 Cb 1.04 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2khp n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2khp n GLY 89 N 2.06 0.77 3.67 3.38 0.00 0.93 -4.89 105.19 111.12 2khp n GLY 89 Ca -0.37 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.47 0.96 0.02 1.61 0.00 -1.21 -2.42 119.74 116.23 2khp s LYS 90 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 55.97 55.52 2khp s LYS 90 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 37.83 38.17 2khp s LYS 90 CO 0.00 -0.43 -0.12 -0.48 0.00 0.00 0.00 175.35 174.32 2khp s LEU 91 N -2.80 2.11 0.00 2.77 2.34 -1.26 -4.62 118.68 117.22 2khp s LEU 91 Ca 0.11 -0.35 0.10 0.00 0.06 0.00 0.00 54.13 54.05 2khp s LEU 91 Cb -0.00 -0.52 0.08 0.00 -0.56 0.00 0.00 46.19 45.19 2khp s LEU 91 CO -0.02 0.05 0.83 2.30 -1.06 0.00 0.00 176.35 178.45