#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 0.18 0.00 1.61 0.13 -2.09 -3.47 132.00 128.36 2khp h PRO 2 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2khp h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2khp h PRO 2 CO 0.00 0.62 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2khp n GLY 3 N -0.07 1.17 3.71 1.56 0.00 -1.26 -5.08 105.19 105.21 2khp n GLY 3 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 6.51 0.01 1.61 0.01 -1.26 -5.00 113.70 113.58 2khp s SER 4 Ca 0.00 2.68 -0.02 0.00 1.31 0.00 0.00 55.95 59.92 2khp s SER 4 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2khp s SER 4 CO 0.00 -0.90 0.03 -0.32 0.41 0.00 0.00 173.24 172.46 2khp s MET 5 N 1.63 0.36 0.08 12.44 1.75 -1.24 -4.67 119.30 129.64 2khp s MET 5 Ca 0.74 -0.52 0.06 0.00 -1.25 0.00 0.00 55.69 54.71 2khp s MET 5 Cb -0.45 0.14 -0.03 0.00 2.84 0.00 0.00 34.83 37.33 2khp s MET 5 CO 0.32 -0.07 -0.17 0.14 -0.65 0.00 0.00 175.02 174.60 2khp s VAL 6 N -1.40 1.34 -0.02 10.11 -7.23 -1.24 -5.02 120.40 116.94 2khp s VAL 6 Ca -0.15 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 2khp s VAL 6 Cb -0.09 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 2khp s VAL 6 CO -0.00 -0.12 1.60 -1.81 -0.31 0.00 0.00 175.10 174.46 2khp s ASP 7 N -1.70 6.69 -0.08 4.85 1.11 -1.26 -4.76 116.67 121.52 2khp s ASP 7 Ca 0.02 2.26 0.02 0.00 0.18 0.00 0.00 52.55 55.03 2khp s ASP 7 Cb -0.10 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 2khp s ASP 7 CO 0.03 -0.88 -0.14 -0.69 1.18 0.00 0.00 175.17 174.67 2khp s VAL 8 N 3.41 3.05 -0.05 -1.27 1.01 -1.26 -2.67 120.40 122.63 2khp s VAL 8 Ca 0.71 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2khp s VAL 8 Cb -0.34 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2khp s VAL 8 CO 0.29 0.57 -0.08 -0.63 0.00 0.00 0.00 175.10 175.25 2khp s ILE 9 N -0.32 0.81 -0.13 2.22 1.01 -0.46 -1.07 121.20 123.25 2khp s ILE 9 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 2khp s ILE 9 Cb -0.13 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2khp s ILE 9 CO 0.02 0.28 -0.08 -0.51 0.00 0.00 0.00 174.94 174.65 2khp s ILE 10 N 0.66 3.54 -0.30 2.92 2.07 0.09 -0.93 121.20 129.24 2khp s ILE 10 Ca -0.11 -0.50 -0.07 0.00 -1.41 0.00 0.00 60.65 58.56 2khp s ILE 10 Cb -0.14 -2.51 0.01 0.00 0.13 0.00 0.00 42.46 39.95 2khp s ILE 10 CO 0.02 0.52 0.09 -0.31 -1.91 0.00 0.00 174.94 173.35 2khp s TYR 11 N 0.16 3.16 0.03 3.50 1.51 0.45 -1.36 117.35 124.82 2khp s TYR 11 Ca -0.04 -0.98 -0.06 0.00 -1.01 0.00 0.00 57.07 54.98 2khp s TYR 11 Cb -0.14 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 2khp s TYR 11 CO 0.04 -0.58 0.11 -0.08 -1.11 0.00 0.00 175.55 173.92 2khp s THR 12 N 1.50 0.13 0.27 -0.71 -1.32 -0.51 -1.31 115.64 113.69 2khp s THR 12 Ca 0.02 -1.04 0.08 0.00 -1.21 0.00 0.00 61.69 59.55 2khp s THR 12 Cb -0.17 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2khp s THR 12 CO 0.03 -0.57 0.11 0.00 -2.21 0.00 0.00 174.62 171.98 2khp s ARG 13 N -2.47 2.61 -0.36 7.08 1.70 -1.26 -3.95 118.95 122.30 2khp s ARG 13 Ca -0.06 -1.25 -0.28 0.00 -0.47 0.00 0.00 55.73 53.66 2khp s ARG 13 Cb -0.02 -2.36 -0.01 0.00 -0.57 0.00 0.00 34.95 31.99 2khp s ARG 13 CO -0.04 0.35 1.70 -1.25 -1.08 0.00 0.00 175.30 174.99 2khp s PRO 14 N -3.78 3.37 0.00 3.89 0.04 -1.26 -2.54 135.00 134.72 2khp s PRO 14 Ca 0.33 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2khp s PRO 14 Cb -0.07 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2khp s PRO 14 CO 0.23 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.86 2khp n GLY 15 N 5.35 1.30 3.52 0.56 0.00 -1.26 -5.09 105.19 109.57 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 8.76 -0.04 -0.01 0.00 0.13 -1.98 -2.68 132.00 136.18 2khp h PRO 17 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2khp h PRO 17 Cb 1.10 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2khp h PRO 17 CO 0.86 0.44 0.01 1.88 -0.23 0.00 0.00 178.00 180.95 2khp h TYR 18 N -0.53 0.00 -0.06 1.56 0.05 -2.00 -2.33 116.97 113.66 2khp h TYR 18 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 2khp h TYR 18 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2khp h TYR 18 CO 0.09 0.00 -0.17 0.00 -1.05 0.00 0.00 178.16 177.03 2khp h ALA 20 N 0.45 0.53 -0.45 0.00 0.00 -1.07 -1.21 119.26 117.51 2khp h ALA 20 Ca -0.00 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2khp h ALA 20 Cb 0.78 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2khp h ALA 20 CO 0.04 -0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.03 2khp h ARG 21 N 0.17 0.23 0.04 0.00 2.47 -1.57 -1.33 114.38 114.39 2khp h ARG 21 Ca 0.26 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2khp h ARG 21 Cb 0.38 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2khp h ARG 21 CO -0.39 0.15 -0.07 0.00 0.56 0.00 0.00 179.97 180.22 2khp h ALA 22 N 1.34 -0.11 -0.20 0.04 0.00 -1.23 0.52 119.26 119.62 2khp h ALA 22 Ca 0.22 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2khp h ALA 22 Cb 0.27 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2khp h ALA 22 CO -0.28 -0.58 -0.22 0.87 0.00 0.00 0.00 179.25 179.05 2khp h LYS 23 N -0.14 -0.23 -0.26 0.00 1.57 -0.80 -0.42 116.57 116.29 2khp h LYS 23 Ca 0.02 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2khp h LYS 23 Cb 0.16 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2khp h LYS 23 CO -0.05 -0.15 0.06 0.00 -0.57 0.00 0.00 179.45 178.73 2khp h ALA 24 N 0.80 1.61 -0.48 3.86 0.00 -1.08 -0.68 119.26 123.30 2khp h ALA 24 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2khp h ALA 24 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2khp h ALA 24 CO -0.34 0.30 0.16 1.25 0.00 0.00 0.00 179.25 180.61 2khp h LEU 25 N 0.37 0.69 -0.37 0.00 7.12 0.64 0.25 115.31 124.01 2khp h LEU 25 Ca 0.09 -0.20 -0.19 0.00 0.13 0.00 0.00 57.88 57.71 2khp h LEU 25 Cb 0.16 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2khp h LEU 25 CO -0.00 0.70 -0.73 -0.07 -0.13 0.00 0.00 178.44 178.21 2khp h LEU 26 N 0.64 0.56 -0.75 2.25 3.38 -0.74 -3.10 115.31 117.54 2khp h LEU 26 Ca 0.16 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 2khp h LEU 26 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2khp h LEU 26 CO -0.01 1.11 -0.40 0.00 0.09 0.00 0.00 178.44 179.23 2khp h ALA 27 N 0.88 0.92 -0.30 1.53 0.00 -0.96 -2.13 119.26 119.20 2khp h ALA 27 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2khp h ALA 27 Cb 1.31 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2khp h ALA 27 CO 0.13 0.50 -0.20 -0.09 0.00 0.00 0.00 179.25 179.59 2khp h ARG 28 N 0.00 -0.17 0.00 0.00 2.43 -0.43 0.16 114.38 116.37 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 1.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 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 -0.18 0.00 0.00 0.20 2.10 -1.69 -3.46 116.57 113.55 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 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2khp h LYS 29 CO -0.40 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.46 2khp n GLY 30 N 0.30 0.84 3.63 0.07 0.00 0.57 -5.05 105.19 105.55 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 3.21 -0.00 4.61 0.00 -0.80 -4.95 121.76 121.82 2khp s ALA 31 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 2khp s ALA 31 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2khp s ALA 31 CO 0.00 -2.07 1.03 -1.21 0.00 0.00 0.00 175.76 173.51 2khp s GLU 32 N 5.05 4.51 0.01 0.00 2.02 -1.26 -4.14 118.70 124.89 2khp s GLU 32 Ca 0.83 1.49 -0.00 0.00 0.02 0.00 0.00 54.97 57.31 2khp s GLU 32 Cb -0.32 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 2khp s GLU 32 CO 0.34 -0.14 -0.01 -0.59 0.02 0.00 0.00 175.26 174.88 2khp s PHE 33 N 1.19 0.13 -0.18 1.61 -0.12 -1.26 -4.51 117.98 114.85 2khp s PHE 33 Ca 0.53 -0.27 -0.29 0.00 -0.05 0.00 0.00 56.93 56.85 2khp s PHE 33 Cb -0.22 -0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 2khp s PHE 33 CO 0.27 -0.10 1.01 1.21 -0.05 0.00 0.00 175.22 177.55 2khp s ASN 34 N -0.78 7.14 -0.30 1.98 2.47 -0.23 -4.85 114.94 120.37 2khp s ASN 34 Ca -0.09 1.41 -0.24 0.00 0.42 0.00 0.00 52.86 54.37 2khp s ASN 34 Cb -0.05 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2khp s ASN 34 CO -0.00 -0.57 0.82 -0.70 -3.72 0.00 0.00 177.10 172.93 2khp s GLU 35 N 2.70 4.01 0.05 0.43 2.12 -1.26 -0.73 118.70 126.01 2khp s GLU 35 Ca 0.45 0.69 0.03 0.00 0.36 0.00 0.00 54.97 56.49 2khp s GLU 35 Cb -0.16 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 2khp s GLU 35 CO 0.11 -0.68 -0.09 0.42 -0.54 0.00 0.00 175.26 174.48 2khp s ILE 36 N 3.00 0.70 0.08 -3.70 1.01 -0.46 -4.99 121.20 116.84 2khp s ILE 36 Ca 0.34 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2khp s ILE 36 Cb -0.14 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2khp s ILE 36 CO 0.12 -0.36 -0.01 -1.81 0.00 0.00 0.00 174.94 172.88 2khp s ASP 37 N -1.67 4.95 -0.04 3.58 1.11 -1.25 -1.42 116.67 121.93 2khp s ASP 37 Ca -0.07 -0.19 0.04 0.00 0.18 0.00 0.00 52.55 52.51 2khp s ASP 37 Cb -0.10 -1.16 -0.05 0.00 1.07 0.00 0.00 42.92 42.68 2khp s ASP 37 CO 0.01 0.19 0.02 0.00 1.18 0.00 0.00 175.17 176.56 2khp n ALA 38 N 0.68 1.90 0.32 5.23 0.00 -1.26 -4.58 120.51 122.82 2khp n ALA 38 Ca -0.11 -0.28 0.22 0.00 0.00 0.00 0.00 53.44 53.27 2khp n ALA 38 Cb 0.52 0.15 1.17 0.00 0.00 0.00 0.00 19.45 21.28 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 -0.94 0.00 0.87 -1.89 -2.23 113.55 109.36 2khp h SER 39 Ca -0.11 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.67 2khp h SER 39 Cb 1.22 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 2khp h SER 39 CO 0.01 0.00 0.62 0.00 -0.53 0.00 0.00 176.83 176.93 2khp h ALA 40 N 1.98 2.27 -2.41 6.23 0.00 -1.97 -3.42 119.26 121.95 2khp h ALA 40 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 2khp h ALA 40 Cb 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 2khp h ALA 40 CO 0.00 -0.58 -0.71 0.95 0.00 0.00 0.00 179.25 178.91 2khp s THR 41 N -5.40 0.84 0.10 0.00 -4.23 -0.84 -5.06 115.64 101.05 2khp s THR 41 Ca -0.08 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 2khp s THR 41 Cb 0.23 -1.57 -0.08 0.00 1.34 0.00 0.00 72.50 72.42 2khp s THR 41 CO 0.79 -0.74 1.43 1.55 -0.54 0.00 0.00 174.62 177.11 2khp h PRO 42 N 3.17 0.71 0.01 3.99 0.13 -1.82 -2.81 132.00 135.39 2khp h PRO 42 Ca -0.36 -0.37 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 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 0.60 0.99 -0.01 0.93 -0.23 0.00 0.00 178.00 180.28 2khp h GLU 43 N 0.46 -0.02 -0.34 0.86 5.08 -1.97 0.16 114.58 118.81 2khp h GLU 43 Ca 0.05 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2khp h GLU 43 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2khp h GLU 43 CO 0.07 0.17 0.24 -0.07 -1.00 0.00 0.00 179.01 178.42 2khp h LEU 44 N -0.20 0.06 0.00 1.33 3.38 -1.78 -0.32 115.31 117.78 2khp h LEU 44 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2khp h LEU 44 Cb 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2khp h LEU 44 CO 0.00 0.04 -1.16 -0.09 0.09 0.00 0.00 178.44 177.32 2khp h ARG 45 N 0.07 0.00 0.42 1.13 2.43 -1.20 -3.12 114.38 114.11 2khp h ARG 45 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2khp h ARG 45 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2khp h ARG 45 CO -0.01 0.64 -0.20 0.00 -1.51 0.00 0.00 179.97 178.89 2khp h ALA 46 N 1.17 -0.56 -0.15 2.80 0.00 0.11 0.25 119.26 122.88 2khp h ALA 46 Ca -0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2khp h ALA 46 Cb 1.73 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2khp h ALA 46 CO 0.09 -0.77 -0.26 1.05 0.00 0.00 0.00 179.25 179.36 2khp h GLU 47 N -0.64 0.27 -0.20 0.00 4.11 -1.61 0.20 114.58 116.70 2khp h GLU 47 Ca -0.06 -0.09 -0.07 0.00 0.07 0.00 0.00 59.36 59.21 2khp h GLU 47 Cb 0.48 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2khp h GLU 47 CO 0.09 0.52 -0.16 1.98 0.07 0.00 0.00 179.01 181.51 2khp h MET 48 N 0.24 0.46 0.00 1.06 1.85 -1.45 -2.91 114.93 114.18 2khp h MET 48 Ca 0.04 -0.23 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 2khp h MET 48 Cb 0.60 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.62 2khp h MET 48 CO 0.04 0.79 -0.07 -0.56 -0.40 0.00 0.00 176.91 176.71 2khp h GLN 49 N 0.14 0.00 0.00 0.39 3.07 -0.37 -3.09 115.11 115.24 2khp h GLN 49 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 2khp h GLN 49 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.24 2khp h GLN 49 CO 0.04 0.07 -0.10 1.49 0.09 0.00 0.00 178.83 180.42 2khp h GLU 50 N 0.00 0.00 0.13 0.06 4.81 -0.52 0.32 114.58 119.39 2khp h GLU 50 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2khp h GLU 50 Cb 0.97 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2khp h GLU 50 CO 0.01 0.10 -1.75 0.00 -0.73 0.00 0.00 179.01 176.65 2khp h ARG 51 N 0.00 0.29 0.17 1.92 3.08 -1.44 -3.38 114.38 115.02 2khp h ARG 51 Ca -0.00 -0.49 -0.30 0.00 0.07 0.00 0.00 59.98 59.26 2khp h ARG 51 Cb 0.74 0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.98 2khp h ARG 51 CO 0.01 1.23 -1.38 1.03 -1.07 0.00 0.00 179.97 179.80 2khp h SER 52 N -0.07 0.56 0.00 7.04 0.87 -1.54 -3.48 113.55 116.93 2khp h SER 52 Ca -0.37 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 2khp h SER 52 Cb 1.95 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2khp h SER 52 CO 0.09 1.50 0.00 0.61 -0.53 0.00 0.00 176.83 178.50 2khp n GLY 53 N 1.62 0.67 3.58 5.77 0.00 0.11 -5.04 105.19 111.91 2khp n GLY 53 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.33 1.96 0.00 1.61 0.52 -1.23 -5.04 118.95 116.44 2khp s ARG 54 Ca 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 55.73 53.02 2khp s ARG 54 Cb 0.00 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.48 2khp s ARG 54 CO 0.00 -0.37 0.70 0.09 0.02 0.00 0.00 175.30 175.75 2khp n ASN 55 N -1.17 0.00 -3.69 0.23 3.02 -1.26 -4.68 115.26 107.72 2khp n ASN 55 Ca -0.09 0.70 -0.11 0.00 -0.03 0.00 0.00 54.58 55.06 2khp n ASN 55 Cb 0.66 -0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.81 -0.01 0.11 3.41 -4.23 -1.26 -4.71 115.64 107.14 2khp s THR 56 Ca 0.00 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 2khp s THR 56 Cb 0.00 -0.72 -0.01 0.00 1.34 0.00 0.00 72.50 73.11 2khp s THR 56 CO 0.00 0.02 0.20 0.72 -0.54 0.00 0.00 174.62 175.02 2khp s PHE 57 N 1.10 0.29 0.04 3.99 -0.71 -1.26 -5.09 117.98 116.34 2khp s PHE 57 Ca -0.07 -0.70 -0.31 0.00 -1.04 0.00 0.00 56.93 54.81 2khp s PHE 57 Cb -0.06 -0.10 -0.06 0.00 -1.21 0.00 0.00 43.02 41.59 2khp s PHE 57 CO -0.10 -0.59 1.42 -1.25 -1.34 0.00 0.00 175.22 173.35 2khp s PRO 58 N -3.91 4.29 -0.17 1.99 0.04 -1.26 -4.82 135.00 131.15 2khp s PRO 58 Ca 0.10 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 2khp s PRO 58 Cb 0.05 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2khp s PRO 58 CO -0.07 -0.55 0.02 -0.65 0.04 0.00 0.00 177.00 175.79 2khp s GLN 59 N 2.05 3.82 -0.38 4.56 1.11 -0.42 -2.92 119.66 127.47 2khp s GLN 59 Ca 0.65 -0.43 -0.00 0.00 0.01 0.00 0.00 55.36 55.59 2khp s GLN 59 Cb -0.34 -3.08 0.11 0.00 -1.01 0.00 0.00 33.01 28.69 2khp s GLN 59 CO 0.28 0.24 0.14 0.42 0.01 0.00 0.00 175.29 176.38 2khp s ILE 60 N 0.42 2.90 -0.38 1.08 1.09 0.88 -0.41 121.20 126.78 2khp s ILE 60 Ca -0.00 -2.15 -0.18 0.00 -1.10 0.00 0.00 60.65 57.21 2khp s ILE 60 Cb -0.13 -3.03 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 2khp s ILE 60 CO 0.02 -0.65 0.52 -0.36 -0.10 0.00 0.00 174.94 174.37 2khp s PHE 61 N 1.05 3.16 -0.25 3.97 0.08 -0.11 -0.30 117.98 125.59 2khp s PHE 61 Ca 0.09 0.05 -0.00 0.00 0.12 0.00 0.00 56.93 57.18 2khp s PHE 61 Cb -0.21 -2.98 0.03 0.00 -0.57 0.00 0.00 43.02 39.29 2khp s PHE 61 CO -0.06 -0.62 -0.08 0.42 -0.10 0.00 0.00 175.22 174.79 2khp s ILE 62 N 2.41 2.65 0.00 0.64 1.01 -0.44 -1.36 121.20 126.11 2khp s ILE 62 Ca 0.18 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2khp s ILE 62 Cb -0.15 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2khp s ILE 62 CO 0.14 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2khp n GLY 63 N 4.61 1.23 0.03 6.18 0.00 -1.09 -1.58 105.19 114.57 2khp n GLY 63 Ca -0.16 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 10.44 1.92 -4.33 1.61 2.88 -1.22 -4.91 113.62 120.02 2khp n SER 64 Ca 0.00 -2.20 -0.25 0.00 -1.33 0.00 0.00 58.87 55.09 2khp n SER 64 Cb 0.00 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.37 1.93 -0.54 2.46 1.01 -0.61 -5.10 120.40 118.16 2khp s VAL 65 Ca 0.08 -1.71 -0.14 0.00 0.00 0.00 0.00 61.98 60.21 2khp s VAL 65 Cb 0.07 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.81 2khp s VAL 65 CO 0.01 -0.08 0.48 -2.28 0.00 0.00 0.00 175.10 173.23 2khp s HIS 66 N -1.35 3.34 0.00 5.22 2.46 -1.26 -1.33 115.29 122.36 2khp s HIS 66 Ca 0.11 -1.51 0.00 0.00 0.47 0.00 0.00 55.06 54.13 2khp s HIS 66 Cb -0.09 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.64 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 5.04 0.00 0.00 0.89 0.31 0.59 -4.98 118.33 120.19 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 0.41 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.75 -0.56 0.00 2.92 0.00 -1.23 -4.94 105.19 100.63 2khp n GLY 68 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 5.41 0.22 -0.02 0.00 -1.15 -0.09 105.19 109.57 2khp n GLY 69 Ca 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 0.50 0.03 0.27 0.00 1.82 -1.96 0.15 116.42 117.24 2khp h ASP 71 Ca 0.26 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 2khp h ASP 71 Cb 0.22 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2khp h ASP 71 CO -0.21 0.03 -0.13 0.44 -1.61 0.00 0.00 179.24 177.76 2khp h ASP 72 N 0.09 -0.31 -0.61 2.28 5.19 -1.80 0.10 116.42 121.35 2khp h ASP 72 Ca 0.05 -0.09 0.08 0.00 -0.62 0.00 0.00 57.03 56.45 2khp h ASP 72 Cb 0.04 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 39.56 2khp h ASP 72 CO -0.06 -0.09 0.27 0.25 -3.12 0.00 0.00 179.24 176.48 2khp h LEU 73 N -0.52 0.32 -1.09 1.55 5.85 -0.51 0.17 115.31 121.07 2khp h LEU 73 Ca -0.04 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2khp h LEU 73 Cb 0.39 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2khp h LEU 73 CO 0.06 0.20 -0.40 1.88 -0.34 0.00 0.00 178.44 179.84 2khp h TYR 74 N 0.48 0.13 0.00 1.25 -1.99 -0.59 -1.44 116.97 114.81 2khp h TYR 74 Ca 0.30 -0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.86 2khp h TYR 74 Cb 0.32 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 2khp h TYR 74 CO -0.14 0.50 -0.67 0.00 -0.00 0.00 0.00 178.16 177.84 2khp h ALA 75 N 1.50 0.82 0.00 3.88 0.00 0.75 -2.98 119.26 123.24 2khp h ALA 75 Ca 0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2khp h ALA 75 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2khp h ALA 75 CO 0.06 0.84 -0.00 -0.07 0.00 0.00 0.00 179.25 180.08 2khp h LEU 76 N 0.00 -0.00 -1.93 0.00 -0.00 -0.42 -3.29 115.31 109.66 2khp h LEU 76 Ca -0.01 -0.91 0.15 0.00 -0.00 0.00 0.00 57.88 57.12 2khp h LEU 76 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 2khp h LEU 76 CO 0.09 0.92 0.39 1.05 -0.00 0.00 0.00 178.44 180.89 2khp h GLU 77 N -0.94 0.07 0.00 1.13 4.11 -1.36 0.30 114.58 117.89 2khp h GLU 77 Ca -0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2khp h GLU 77 Cb 0.91 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2khp h GLU 77 CO 0.00 0.04 -0.08 0.22 0.07 0.00 0.00 179.01 179.27 2khp h ASP 78 N 0.07 0.00 0.00 3.06 3.58 -1.59 -2.52 116.42 119.02 2khp h ASP 78 Ca 0.26 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 2khp h ASP 78 Cb 0.96 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.00 2khp h ASP 78 CO -0.02 0.08 -1.79 -0.62 -2.88 0.00 0.00 179.24 174.00 2khp n GLU 79 N -3.73 0.59 -1.84 0.28 1.02 0.81 -5.01 120.64 112.76 2khp n GLU 79 Ca -0.02 -0.14 -0.01 0.00 -0.02 0.00 0.00 57.16 56.96 2khp n GLU 79 Cb 0.18 -1.40 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.59 0.35 0.06 0.62 0.00 0.25 -4.94 105.19 103.11 2khp n GLY 80 Ca -0.05 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.47 0.64 -0.30 1.61 4.76 -1.20 -4.26 118.16 117.95 2khp n LYS 81 Ca -0.02 -0.04 0.16 0.00 -2.87 0.00 0.00 58.31 55.54 2khp n LYS 81 Cb 0.43 -1.63 0.41 0.00 -1.84 0.00 0.00 35.03 32.39 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 -0.89 -0.35 5.85 -1.93 0.80 115.31 119.41 2khp h LEU 82 Ca -0.08 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2khp h LEU 82 Cb 1.22 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 2khp h LEU 82 CO 0.01 0.24 0.53 0.44 -0.34 0.00 0.00 178.44 179.32 2khp h ASP 83 N 0.61 0.77 1.28 1.25 5.19 -1.94 -0.54 116.42 123.04 2khp h ASP 83 Ca 0.52 0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.84 2khp h ASP 83 Cb 1.01 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 2khp h ASP 83 CO -0.28 0.43 -0.69 0.28 -3.12 0.00 0.00 179.24 175.86 2khp h SER 84 N 0.87 0.00 -0.42 6.45 0.02 -1.16 -2.21 113.55 117.09 2khp h SER 84 Ca 0.43 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.31 2khp h SER 84 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2khp h SER 84 CO -0.25 0.69 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.03 2khp h LEU 85 N 0.00 0.76 0.00 5.07 -0.00 0.14 0.56 115.31 121.84 2khp h LEU 85 Ca -0.01 -0.33 -0.12 0.00 -0.00 0.00 0.00 57.88 57.42 2khp h LEU 85 Cb 1.52 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.96 2khp h LEU 85 CO 0.09 0.91 -0.74 0.17 -0.00 0.00 0.00 178.44 178.86 2khp h LEU 86 N 0.60 0.00 -0.03 1.67 8.10 -1.23 0.23 115.31 124.65 2khp h LEU 86 Ca 0.12 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 58.00 2khp h LEU 86 Cb 0.54 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.76 2khp h LEU 86 CO 0.03 0.53 -0.41 0.11 -4.11 0.00 0.00 178.44 174.59 2khp h LYS 87 N 0.00 0.33 0.11 0.17 1.57 -1.28 -3.30 116.57 114.18 2khp h LYS 87 Ca -0.04 -0.31 -0.36 0.00 -1.87 0.00 0.00 60.65 58.07 2khp h LYS 87 Cb 1.44 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 2khp h LYS 87 CO 0.06 0.99 -1.95 0.25 -0.57 0.00 0.00 179.45 178.23 2khp n THR 88 N -4.37 1.77 -0.44 -0.16 -2.24 0.18 -3.72 114.28 105.30 2khp n THR 88 Ca -0.09 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2khp n THR 88 Cb 0.56 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 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 1.93 0.73 3.57 3.38 0.00 0.82 -4.84 105.19 110.78 2khp n GLY 89 Ca -0.30 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.87 0.43 -0.08 1.61 0.00 -1.20 -3.38 119.74 116.25 2khp s LYS 90 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 55.97 55.80 2khp s LYS 90 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 37.83 37.99 2khp s LYS 90 CO 0.00 -0.19 0.00 -0.48 0.00 0.00 0.00 175.35 174.68 2khp s LEU 91 N -2.25 3.58 0.00 2.77 2.34 -1.26 -4.69 118.68 119.17 2khp s LEU 91 Ca 0.08 0.13 0.02 0.00 0.06 0.00 0.00 54.13 54.43 2khp s LEU 91 Cb -0.01 -1.83 0.15 0.00 -0.56 0.00 0.00 46.19 43.93 2khp s LEU 91 CO -0.06 0.37 0.63 2.30 -1.06 0.00 0.00 176.35 178.54