#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 2.66 0.00 1.61 0.04 -1.26 -4.29 135.00 133.76 2khp s PRO 2 Ca 0.00 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2khp s PRO 2 Cb 0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2khp s PRO 2 CO 0.00 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 174.76 2khp n GLY 3 N 5.68 -0.26 3.68 0.56 0.00 -1.26 -5.14 105.19 108.46 2khp n GLY 3 Ca 0.21 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2khp n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2khp s SER 4 N 0.00 7.14 0.23 1.61 0.15 -1.26 -5.03 113.70 116.54 2khp s SER 4 Ca 0.00 1.41 0.01 0.00 0.70 0.00 0.00 55.95 58.06 2khp s SER 4 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 2khp s SER 4 CO 0.00 -0.45 0.17 -0.04 1.20 0.00 0.00 173.24 174.12 2khp s MET 5 N 2.14 1.33 0.04 5.44 -1.94 -1.24 -4.63 119.30 120.43 2khp s MET 5 Ca 0.45 -1.71 0.01 0.00 -1.71 0.00 0.00 55.69 52.72 2khp s MET 5 Cb -0.17 0.28 -0.02 0.00 2.01 0.00 0.00 34.83 36.93 2khp s MET 5 CO 0.15 -0.45 -0.05 0.14 -0.01 0.00 0.00 175.02 174.80 2khp s VAL 6 N -4.00 0.33 -0.25 -6.03 -7.23 -1.24 -4.96 120.40 97.02 2khp s VAL 6 Ca 0.39 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 2khp s VAL 6 Cb 0.06 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 2khp s VAL 6 CO 0.15 -0.52 1.66 -1.81 -0.31 0.00 0.00 175.10 174.27 2khp s ASP 7 N -1.75 6.26 -0.26 4.85 1.11 -1.26 -4.77 116.67 120.85 2khp s ASP 7 Ca -0.10 1.54 -0.09 0.00 0.18 0.00 0.00 52.55 54.08 2khp s ASP 7 Cb -0.07 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2khp s ASP 7 CO -0.01 -1.37 0.14 -0.69 1.18 0.00 0.00 175.17 174.41 2khp s VAL 8 N 5.60 4.92 -0.13 -1.27 1.01 -1.26 -3.19 120.40 126.09 2khp s VAL 8 Ca 0.73 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2khp s VAL 8 Cb -0.24 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2khp s VAL 8 CO 0.31 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.89 2khp s ILE 9 N 1.60 2.46 -0.09 2.22 1.01 -0.10 -0.81 121.20 127.49 2khp s ILE 9 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2khp s ILE 9 Cb -0.15 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2khp s ILE 9 CO 0.07 0.54 -0.16 -0.51 0.00 0.00 0.00 174.94 174.88 2khp s ILE 10 N 0.55 2.85 -0.22 2.92 2.07 -0.40 -0.10 121.20 128.87 2khp s ILE 10 Ca -0.11 -0.77 -0.05 0.00 -1.41 0.00 0.00 60.65 58.31 2khp s ILE 10 Cb -0.16 -2.14 -0.02 0.00 0.13 0.00 0.00 42.46 40.27 2khp s ILE 10 CO 0.04 0.56 0.00 -0.31 -1.91 0.00 0.00 174.94 173.32 2khp s TYR 11 N -0.15 3.01 0.04 3.50 1.51 0.78 -1.20 117.35 124.85 2khp s TYR 11 Ca -0.02 -0.66 -0.07 0.00 -1.01 0.00 0.00 57.07 55.32 2khp s TYR 11 Cb -0.14 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 2khp s TYR 11 CO 0.04 -0.41 0.12 0.95 -1.11 0.00 0.00 175.55 175.14 2khp s THR 12 N 1.40 0.13 0.14 -0.71 -4.23 -0.52 -1.01 115.64 110.84 2khp s THR 12 Ca 0.05 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2khp s THR 12 Cb -0.15 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 2khp s THR 12 CO 0.00 -0.60 0.18 0.00 -0.54 0.00 0.00 174.62 173.66 2khp s ARG 13 N -2.80 3.10 -0.75 3.99 1.70 -1.26 -4.01 118.95 118.93 2khp s ARG 13 Ca -0.03 -0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 54.26 2khp s ARG 13 Cb -0.00 -2.78 -0.17 0.00 -0.57 0.00 0.00 34.95 31.43 2khp s ARG 13 CO -0.05 0.51 1.90 -0.35 -1.08 0.00 0.00 175.30 176.23 2khp n PRO 14 N -0.28 1.40 0.00 3.89 -0.04 -1.26 -3.68 135.00 135.03 2khp n PRO 14 Ca -0.08 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 2khp n PRO 14 Cb 0.54 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.65 -0.16 3.23 0.55 0.00 -1.26 -5.17 105.19 107.03 2khp n GLY 15 Ca 0.49 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 7.47 0.26 -0.98 0.00 0.13 -2.00 -2.93 132.00 133.96 2khp h PRO 17 Ca -0.30 -0.14 0.24 0.00 -0.87 0.00 0.00 66.00 64.92 2khp h PRO 17 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2khp h PRO 17 CO 0.25 0.67 0.64 1.88 -0.23 0.00 0.00 178.00 181.21 2khp h TYR 18 N -0.14 0.60 0.03 1.56 0.05 -1.98 -0.97 116.97 116.12 2khp h TYR 18 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2khp h TYR 18 Cb 0.63 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2khp h TYR 18 CO 0.09 0.11 -0.01 0.00 -1.05 0.00 0.00 178.16 177.29 2khp h ALA 20 N 0.33 0.75 0.12 0.00 0.00 -1.02 0.25 119.26 119.68 2khp h ALA 20 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2khp h ALA 20 Cb 0.56 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2khp h ALA 20 CO 0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 179.25 178.84 2khp h ARG 21 N 0.19 -0.16 0.27 0.00 2.47 -1.39 -0.94 114.38 114.82 2khp h ARG 21 Ca 0.36 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.09 2khp h ARG 21 Cb 0.59 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.91 2khp h ARG 21 CO -0.51 -0.06 -0.43 0.00 0.56 0.00 0.00 179.97 179.53 2khp h ALA 22 N 0.67 -0.85 -0.57 0.04 0.00 -0.97 0.40 119.26 117.98 2khp h ALA 22 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2khp h ALA 22 Cb 0.16 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2khp h ALA 22 CO 0.03 -1.03 0.12 0.87 0.00 0.00 0.00 179.25 179.24 2khp h LYS 23 N -0.76 0.25 -0.54 0.00 1.57 -0.96 0.40 116.57 116.52 2khp h LYS 23 Ca -0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2khp h LYS 23 Cb 0.73 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2khp h LYS 23 CO -0.16 0.16 0.36 0.00 -0.57 0.00 0.00 179.45 179.25 2khp h ALA 24 N 1.45 1.63 -0.27 3.86 0.00 -0.72 -0.10 119.26 125.10 2khp h ALA 24 Ca 0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2khp h ALA 24 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2khp h ALA 24 CO -0.38 0.33 -0.11 1.25 0.00 0.00 0.00 179.25 180.34 2khp h LEU 25 N 0.72 0.56 -1.01 0.00 7.12 0.11 -1.67 115.31 121.15 2khp h LEU 25 Ca 0.20 -0.40 -0.10 0.00 0.13 0.00 0.00 57.88 57.72 2khp h LEU 25 Cb -0.06 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 2khp h LEU 25 CO -0.05 0.84 -0.35 -0.07 -0.13 0.00 0.00 178.44 178.68 2khp h LEU 26 N 0.29 0.28 -0.74 2.25 3.38 -0.72 -2.65 115.31 117.40 2khp h LEU 26 Ca 0.06 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2khp h LEU 26 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2khp h LEU 26 CO 0.04 0.62 -0.41 0.00 0.09 0.00 0.00 178.44 178.77 2khp h ALA 27 N 1.40 0.92 0.00 1.53 0.00 -0.92 -1.72 119.26 120.47 2khp h ALA 27 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2khp h ALA 27 Cb 0.73 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2khp h ALA 27 CO 0.06 0.51 -0.05 -0.09 0.00 0.00 0.00 179.25 179.68 2khp h ARG 28 N 0.00 0.00 -0.20 0.00 2.43 -0.92 -0.70 114.38 114.99 2khp h ARG 28 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khp h ARG 28 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2khp h ARG 28 CO 0.05 0.05 0.00 0.36 -1.51 0.00 0.00 179.97 178.93 2khp n LYS 29 N -3.61 2.01 -1.02 0.20 2.85 -1.13 -4.95 118.16 112.50 2khp n LYS 29 Ca -0.02 -1.89 -0.01 0.00 -1.05 0.00 0.00 58.31 55.34 2khp n LYS 29 Cb 0.16 -1.40 -0.00 0.00 -0.65 0.00 0.00 35.03 33.14 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 1.14 0.44 3.63 2.58 0.00 -0.27 -4.96 105.19 107.75 2khp n GLY 30 Ca 0.14 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.84 3.26 0.08 4.61 0.00 -0.66 -4.97 121.76 122.25 2khp s ALA 31 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 2khp s ALA 31 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 2khp s ALA 31 CO 0.00 -1.98 0.99 -1.83 0.00 0.00 0.00 175.76 172.94 2khp s GLU 32 N 4.79 4.64 -0.03 0.00 -1.05 -1.26 -4.46 118.70 121.34 2khp s GLU 32 Ca 0.76 1.47 -0.12 0.00 -0.15 0.00 0.00 54.97 56.93 2khp s GLU 32 Cb -0.28 -3.39 0.02 0.00 -0.44 0.00 0.00 34.13 30.04 2khp s GLU 32 CO 0.31 0.11 0.26 -0.59 0.95 0.00 0.00 175.26 176.30 2khp s PHE 33 N 0.30 -0.15 -0.24 4.83 -0.12 -1.26 -4.60 117.98 116.74 2khp s PHE 33 Ca 0.49 0.27 -0.25 0.00 -0.05 0.00 0.00 56.93 57.39 2khp s PHE 33 Cb -0.23 0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 2khp s PHE 33 CO 0.30 -0.31 0.85 1.21 -0.05 0.00 0.00 175.22 177.21 2khp s ASN 34 N -1.02 6.86 -0.29 1.98 2.47 0.01 -4.91 114.94 120.04 2khp s ASN 34 Ca -0.11 1.07 -0.24 0.00 0.42 0.00 0.00 52.86 54.00 2khp s ASN 34 Cb -0.05 -2.45 -0.00 0.00 -1.45 0.00 0.00 41.25 37.30 2khp s ASN 34 CO 0.03 -0.52 0.82 -0.70 -3.72 0.00 0.00 177.10 173.01 2khp s GLU 35 N 2.83 4.05 0.05 0.43 2.12 -1.26 -1.27 118.70 125.65 2khp s GLU 35 Ca 0.36 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.49 2khp s GLU 35 Cb -0.15 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 2khp s GLU 35 CO 0.07 -0.64 -0.15 0.42 -0.54 0.00 0.00 175.26 174.42 2khp s ILE 36 N 2.97 1.22 -0.04 -3.70 1.01 -0.34 -5.00 121.20 117.32 2khp s ILE 36 Ca 0.34 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2khp s ILE 36 Cb -0.14 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2khp s ILE 36 CO 0.11 -0.02 -0.01 -1.81 0.00 0.00 0.00 174.94 173.21 2khp s ASP 37 N -1.30 5.06 -0.03 3.58 1.11 -1.26 -1.44 116.67 122.39 2khp s ASP 37 Ca 0.02 0.04 0.03 0.00 0.18 0.00 0.00 52.55 52.82 2khp s ASP 37 Cb -0.08 -1.35 -0.05 0.00 1.07 0.00 0.00 42.92 42.51 2khp s ASP 37 CO 0.02 0.33 0.02 0.00 1.18 0.00 0.00 175.17 176.72 2khp n ALA 38 N 1.81 1.94 0.28 5.23 0.00 -1.26 -4.59 120.51 123.92 2khp n ALA 38 Ca -0.17 -0.22 0.18 0.00 0.00 0.00 0.00 53.44 53.24 2khp n ALA 38 Cb 0.53 0.14 0.96 0.00 0.00 0.00 0.00 19.45 21.08 2khp n ALA 38 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2khp h SER 39 N 0.00 0.00 -0.97 0.00 0.02 -1.85 -1.75 113.55 109.00 2khp h SER 39 Ca -0.09 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.07 2khp h SER 39 Cb 1.10 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.55 2khp h SER 39 CO 0.00 0.00 0.62 0.00 -1.14 0.00 0.00 176.83 176.31 2khp h ALA 40 N 1.77 1.98 -2.32 3.77 0.00 -1.95 -3.42 119.26 119.08 2khp h ALA 40 Ca 0.03 0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.52 2khp h ALA 40 Cb 0.33 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 2khp h ALA 40 CO -0.00 -0.32 -0.74 0.95 0.00 0.00 0.00 179.25 179.14 2khp s THR 41 N -5.62 1.81 0.10 0.00 -4.23 -0.67 -5.06 115.64 101.97 2khp s THR 41 Ca -0.10 -2.18 -0.15 0.00 -1.18 0.00 0.00 61.69 58.08 2khp s THR 41 Cb 0.24 -2.03 -0.09 0.00 1.34 0.00 0.00 72.50 71.96 2khp s THR 41 CO 0.79 -0.54 1.42 1.55 -0.54 0.00 0.00 174.62 177.31 2khp h PRO 42 N 2.64 0.70 0.13 3.99 0.13 -1.81 -2.51 132.00 135.26 2khp h PRO 42 Ca -0.39 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.37 2khp h PRO 42 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2khp h PRO 42 CO 0.60 0.98 -0.06 1.49 -0.23 0.00 0.00 178.00 180.78 2khp h GLU 43 N 0.44 -0.17 -0.03 0.86 4.81 -1.97 0.16 114.58 118.68 2khp h GLU 43 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2khp h GLU 43 Cb 0.85 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2khp h GLU 43 CO 0.07 0.04 0.03 -0.07 -0.73 0.00 0.00 179.01 178.35 2khp h LEU 44 N -0.35 0.00 0.00 1.64 3.38 -1.76 -0.60 115.31 117.62 2khp h LEU 44 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2khp h LEU 44 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2khp h LEU 44 CO 0.03 0.00 -0.91 -0.09 0.09 0.00 0.00 178.44 177.56 2khp h ARG 45 N 0.00 0.00 0.29 1.13 2.43 -1.08 -3.24 114.38 113.90 2khp h ARG 45 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2khp h ARG 45 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2khp h ARG 45 CO -0.00 0.40 -0.14 0.00 -1.51 0.00 0.00 179.97 178.72 2khp h ALA 46 N 1.48 -0.39 -0.34 2.80 0.00 0.91 -2.54 119.26 121.18 2khp h ALA 46 Ca -0.07 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2khp h ALA 46 Cb 1.46 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2khp h ALA 46 CO 0.06 -0.52 0.23 1.05 0.00 0.00 0.00 179.25 180.07 2khp h GLU 47 N -0.79 0.36 0.08 0.00 4.11 -1.61 0.30 114.58 117.03 2khp h GLU 47 Ca -0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2khp h GLU 47 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2khp h GLU 47 CO 0.06 0.24 -0.04 0.52 0.07 0.00 0.00 179.01 179.86 2khp h MET 48 N 0.37 -0.10 0.00 1.06 2.86 -1.57 -2.77 114.93 114.78 2khp h MET 48 Ca 0.14 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2khp h MET 48 Cb 0.10 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2khp h MET 48 CO -0.03 0.09 0.00 -0.56 1.06 0.00 0.00 176.91 177.46 2khp h GLN 49 N -0.28 0.00 0.00 1.72 3.07 -1.01 -2.93 115.11 115.68 2khp h GLN 49 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2khp h GLN 49 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2khp h GLN 49 CO 0.02 0.00 0.00 1.49 0.09 0.00 0.00 178.83 180.43 2khp h GLU 50 N 0.00 0.00 0.00 0.06 4.81 -0.15 0.30 114.58 119.60 2khp h GLU 50 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2khp h GLU 50 Cb 0.73 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 2khp h GLU 50 CO 0.00 0.00 -2.36 0.54 -0.73 0.00 0.00 179.01 176.46 2khp n ARG 51 N -2.94 0.66 0.12 1.92 1.74 -1.12 -4.54 116.66 112.50 2khp n ARG 51 Ca 0.02 0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 57.02 2khp n ARG 51 Cb 0.34 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.60 0.00 0.55 0.87 -1.53 -3.48 113.55 110.56 2khp h SER 52 Ca -0.53 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.39 2khp h SER 52 Cb 1.89 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 2khp h SER 52 CO -0.06 1.49 0.00 0.61 -0.53 0.00 0.00 176.83 178.34 2khp n GLY 53 N 1.59 1.75 3.90 5.77 0.00 0.10 -5.02 105.19 113.28 2khp n GLY 53 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.29 2.31 0.00 1.61 0.52 -1.26 -5.03 118.95 116.82 2khp s ARG 54 Ca 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 2khp s ARG 54 Cb 0.00 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2khp s ARG 54 CO 0.00 -0.52 0.83 0.09 0.02 0.00 0.00 175.30 175.72 2khp n ASN 55 N -1.73 0.00 -3.64 0.23 3.02 -1.26 -4.65 115.26 107.24 2khp n ASN 55 Ca 0.01 0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 55.30 2khp n ASN 55 Cb 0.64 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 2khp n ASN 55 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2khp s THR 56 N -2.32 0.00 0.10 3.41 -4.23 -1.26 -4.68 115.64 106.66 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 1.20 0.27 -0.07 3.99 -0.71 -1.26 -5.08 117.98 116.32 2khp s PHE 57 Ca -0.07 -0.70 -0.30 0.00 -1.04 0.00 0.00 56.93 54.83 2khp s PHE 57 Cb -0.05 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 2khp s PHE 57 CO -0.13 -0.57 1.50 -1.25 -1.34 0.00 0.00 175.22 173.43 2khp s PRO 58 N -3.90 4.22 -0.19 1.99 0.04 -1.26 -4.84 135.00 131.06 2khp s PRO 58 Ca 0.09 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 2khp s PRO 58 Cb 0.05 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 2khp s PRO 58 CO -0.08 -0.75 0.15 -0.65 0.04 0.00 0.00 177.00 175.72 2khp s GLN 59 N 3.49 4.15 -0.38 4.56 1.11 -0.18 -3.25 119.66 129.16 2khp s GLN 59 Ca 0.67 -0.17 -0.01 0.00 0.01 0.00 0.00 55.36 55.85 2khp s GLN 59 Cb -0.30 -3.41 0.10 0.00 -1.01 0.00 0.00 33.01 28.39 2khp s GLN 59 CO 0.25 0.32 0.14 0.42 0.01 0.00 0.00 175.29 176.44 2khp s ILE 60 N 0.28 3.05 -0.38 1.08 1.09 0.63 -0.16 121.20 126.80 2khp s ILE 60 Ca 0.10 -2.00 -0.18 0.00 -1.10 0.00 0.00 60.65 57.46 2khp s ILE 60 Cb -0.11 -3.06 0.01 0.00 -1.06 0.00 0.00 42.46 38.23 2khp s ILE 60 CO -0.01 -0.58 0.51 -0.36 -0.10 0.00 0.00 174.94 174.40 2khp s PHE 61 N 1.11 3.16 -0.25 3.97 0.08 0.85 -0.40 117.98 126.50 2khp s PHE 61 Ca 0.07 0.01 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 2khp s PHE 61 Cb -0.22 -2.97 0.02 0.00 -0.57 0.00 0.00 43.02 39.29 2khp s PHE 61 CO -0.04 -0.62 -0.05 0.42 -0.10 0.00 0.00 175.22 174.83 2khp s ILE 62 N 2.38 2.98 0.00 0.64 1.01 -0.37 -0.92 121.20 126.93 2khp s ILE 62 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2khp s ILE 62 Cb -0.16 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2khp s ILE 62 CO 0.14 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2khp n GLY 63 N 4.69 1.25 0.01 6.18 0.00 -1.19 -1.54 105.19 114.59 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 1.44 0.00 0.00 0.00 173.32 174.76 2khp n SER 64 N 10.71 1.99 -4.34 1.61 7.64 -1.14 -4.88 113.62 125.22 2khp n SER 64 Ca 0.00 -2.15 -0.25 0.00 1.01 0.00 0.00 58.87 57.47 2khp n SER 64 Cb 0.00 -0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.28 1.95 -0.54 0.44 1.01 -0.59 -5.10 120.40 116.29 2khp s VAL 65 Ca 0.05 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.16 2khp s VAL 65 Cb 0.05 -1.79 0.13 0.00 0.00 0.00 0.00 36.38 34.77 2khp s VAL 65 CO 0.00 -0.07 0.49 -2.28 0.00 0.00 0.00 175.10 173.24 2khp s HIS 66 N -1.35 3.30 0.00 5.22 2.46 -1.26 -1.23 115.29 122.43 2khp s HIS 66 Ca 0.12 -1.42 0.00 0.00 0.47 0.00 0.00 55.06 54.23 2khp s HIS 66 Cb -0.09 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 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 5.13 0.00 0.00 0.89 0.31 0.46 -4.99 118.33 120.14 2khp n VAL 67 Ca -0.12 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 2khp n VAL 67 Cb 0.40 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.74 -0.56 0.00 2.92 0.00 -1.22 -4.94 105.19 100.64 2khp n GLY 68 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.30 -0.02 0.00 -1.20 -0.27 105.19 109.42 2khp n GLY 69 Ca 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.71 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 0.58 0.03 0.20 0.00 1.82 -1.95 0.26 116.42 117.36 2khp h ASP 71 Ca 0.46 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 57.11 2khp h ASP 71 Cb 0.68 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2khp h ASP 71 CO -0.38 0.04 -0.10 0.44 -1.61 0.00 0.00 179.24 177.63 2khp h ASP 72 N 0.10 -0.23 -0.91 2.28 5.19 -1.62 0.45 116.42 121.68 2khp h ASP 72 Ca 0.06 -0.13 0.07 0.00 -0.62 0.00 0.00 57.03 56.41 2khp h ASP 72 Cb 0.04 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.55 2khp h ASP 72 CO -0.07 -0.00 0.59 0.25 -3.12 0.00 0.00 179.24 176.89 2khp h LEU 73 N -0.45 0.91 -0.62 1.55 5.85 -0.70 0.13 115.31 121.98 2khp h LEU 73 Ca -0.03 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2khp h LEU 73 Cb 0.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2khp h LEU 73 CO 0.04 0.57 -0.58 1.88 -0.34 0.00 0.00 178.44 180.02 2khp h TYR 74 N 1.02 0.44 0.00 1.25 -1.99 -0.32 -1.23 116.97 116.14 2khp h TYR 74 Ca 0.40 -0.16 -0.15 0.00 2.00 0.00 0.00 58.73 60.82 2khp h TYR 74 Cb 0.23 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2khp h TYR 74 CO -0.00 0.84 -0.71 0.00 -0.00 0.00 0.00 178.16 178.29 2khp h ALA 75 N 1.12 0.81 0.01 3.88 0.00 0.28 -2.96 119.26 122.39 2khp h ALA 75 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2khp h ALA 75 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2khp h ALA 75 CO 0.10 0.89 -0.05 -0.07 0.00 0.00 0.00 179.25 180.12 2khp h LEU 76 N 0.00 0.03 -2.00 0.00 -0.00 -0.68 -3.29 115.31 109.37 2khp h LEU 76 Ca -0.01 -0.94 0.13 0.00 -0.00 0.00 0.00 57.88 57.06 2khp h LEU 76 Cb 1.28 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2khp h LEU 76 CO 0.09 0.96 0.31 1.05 -0.00 0.00 0.00 178.44 180.86 2khp h GLU 77 N -0.90 0.00 0.00 1.13 -0.00 -1.31 0.20 114.58 113.71 2khp h GLU 77 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.32 2khp h GLU 77 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.72 2khp h GLU 77 CO 0.01 0.00 -0.14 0.22 -0.00 0.00 0.00 179.01 179.09 2khp h ASP 78 N 0.00 0.00 0.11 3.06 3.58 -1.58 -2.50 116.42 119.08 2khp h ASP 78 Ca 0.21 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2khp h ASP 78 Cb 0.83 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 2khp h ASP 78 CO -0.00 0.14 -1.92 -0.62 -2.88 0.00 0.00 179.24 173.96 2khp n GLU 79 N -4.02 0.66 -1.37 0.28 1.02 0.54 -4.99 120.64 112.76 2khp n GLU 79 Ca -0.02 -0.15 -0.02 0.00 -0.02 0.00 0.00 57.16 56.95 2khp n GLU 79 Cb 0.23 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.28 0.45 0.09 0.62 0.00 -0.16 -4.93 105.19 102.54 2khp n GLY 80 Ca -0.05 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.38 0.63 -0.31 1.61 4.76 -1.21 -4.16 118.16 117.10 2khp n LYS 81 Ca -0.02 0.08 0.16 0.00 -2.87 0.00 0.00 58.31 55.66 2khp n LYS 81 Cb 0.21 -1.74 0.41 0.00 -1.84 0.00 0.00 35.03 32.06 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 0.62 -1.02 -0.35 5.85 -1.92 0.76 115.31 119.24 2khp h LEU 82 Ca -0.09 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.87 2khp h LEU 82 Cb 1.27 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 2khp h LEU 82 CO 0.02 0.24 0.62 0.44 -0.34 0.00 0.00 178.44 179.41 2khp h ASP 83 N 0.61 0.81 1.30 1.25 3.32 -1.94 0.13 116.42 121.90 2khp h ASP 83 Ca 0.53 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.52 2khp h ASP 83 Cb 1.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2khp h ASP 83 CO -0.28 0.33 -0.71 0.28 -1.72 0.00 0.00 179.24 177.13 2khp h SER 84 N 0.81 0.00 -0.32 6.45 0.02 -1.14 -2.74 113.55 116.64 2khp h SER 84 Ca 0.56 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.38 2khp h SER 84 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2khp h SER 84 CO -0.35 0.65 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.66 2khp h LEU 85 N 0.00 0.85 0.00 5.07 -0.00 -0.14 0.10 115.31 121.19 2khp h LEU 85 Ca -0.02 -0.33 -0.08 0.00 -0.00 0.00 0.00 57.88 57.45 2khp h LEU 85 Cb 1.51 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2khp h LEU 85 CO 0.08 1.07 -0.58 0.17 -0.00 0.00 0.00 178.44 179.17 2khp h LEU 86 N 0.71 0.00 0.04 1.67 8.10 -1.17 0.23 115.31 124.88 2khp h LEU 86 Ca 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.01 2khp h LEU 86 Cb 0.80 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.03 2khp h LEU 86 CO 0.07 0.33 -0.27 0.50 -4.11 0.00 0.00 178.44 174.96 2khp h LYS 87 N 0.00 0.12 0.13 0.17 3.64 -1.32 -3.30 116.57 116.01 2khp h LYS 87 Ca -0.03 -0.17 -0.35 0.00 -1.27 0.00 0.00 60.65 58.82 2khp h LYS 87 Cb 1.27 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2khp h LYS 87 CO 0.04 1.03 -1.91 1.79 -2.27 0.00 0.00 179.45 178.13 2khp h THR 88 N -0.71 0.72 0.00 1.00 1.35 -1.10 -3.28 112.91 110.88 2khp h THR 88 Ca -0.04 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2khp h THR 88 Cb 1.16 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 2khp h THR 88 CO 0.05 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 2khp n GLY 89 N 1.92 0.62 3.07 5.82 0.00 0.81 -4.80 105.19 112.63 2khp n GLY 89 Ca -0.29 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.01 0.56 -0.27 1.61 3.01 -1.24 -2.90 119.74 119.51 2khp s LYS 90 Ca 0.00 -1.01 -0.08 0.00 -1.01 0.00 0.00 55.97 53.87 2khp s LYS 90 Cb 0.00 0.01 -0.02 0.00 -1.01 0.00 0.00 37.83 36.81 2khp s LYS 90 CO 0.00 -0.05 0.10 -1.17 0.51 0.00 0.00 175.35 174.74 2khp s LEU 91 N -2.34 3.65 0.00 3.17 2.96 -1.26 -4.62 118.68 120.24 2khp s LEU 91 Ca -0.01 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2khp s LEU 91 Cb -0.00 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.73 2khp s LEU 91 CO -0.05 -0.08 0.00 -0.38 -1.32 0.00 0.00 176.35 174.53