#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khp n GLY -1 N 0.00 2.51 3.88 -1.23 0.00 -1.26 -4.96 105.19 104.14 3khp n GLY -1 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3khp n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khp s SER 0 N -0.55 6.48 0.00 1.61 0.01 -1.26 -5.07 113.70 114.93 3khp s SER 0 Ca 0.38 0.54 -0.23 0.00 1.31 0.00 0.00 55.95 57.95 3khp s SER 0 Cb 0.29 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 3khp s SER 0 CO 0.11 0.26 0.69 -0.32 0.41 0.00 0.00 173.24 174.40 3khp s MET 1 N -1.72 4.42 -0.20 12.44 1.75 -1.26 -5.02 119.30 129.72 3khp s MET 1 Ca 0.27 0.91 -0.29 0.00 -1.25 0.00 0.00 55.69 55.33 3khp s MET 1 Cb -0.13 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.16 3khp s MET 1 CO 0.15 0.26 1.09 0.00 -0.65 0.00 0.00 175.02 175.87 3khp s ALA 2 N 0.11 3.66 -0.13 4.11 0.00 -1.26 -5.00 121.76 123.24 3khp s ALA 2 Ca 0.36 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 3khp s ALA 2 Cb -0.19 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.42 3khp s ALA 2 CO 0.20 -1.03 0.02 0.42 0.00 0.00 0.00 175.76 175.37 3khp s ILE 3 N 3.14 0.44 -0.54 0.00 1.01 -1.26 -4.28 121.20 119.71 3khp s ILE 3 Ca 0.47 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 3khp s ILE 3 Cb -0.17 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.56 3khp s ILE 3 CO 0.09 0.03 1.19 -0.62 0.00 0.00 0.00 174.94 175.62 3khp s ASP 4 N 1.92 6.50 0.00 3.58 -1.08 0.12 -4.87 116.67 122.85 3khp s ASP 4 Ca 0.02 0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.55 3khp s ASP 4 Cb -0.15 -2.55 1.15 0.00 -1.46 0.00 0.00 42.92 39.92 3khp s ASP 4 CO -0.07 -1.41 1.77 -0.81 0.52 0.00 0.00 175.17 175.18 3khp n PRO 5 N 8.22 0.27 -0.13 4.34 -0.05 -1.26 -2.36 135.00 144.03 3khp n PRO 5 Ca 0.10 0.07 0.11 0.00 -0.05 0.00 0.00 63.50 63.73 3khp n PRO 5 Cb 0.49 -1.50 0.30 0.00 -0.05 0.00 0.00 33.50 32.74 3khp n PRO 5 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3khp n ASN 6 N -1.33 2.39 -0.34 3.54 3.02 -1.26 -4.42 115.26 116.86 3khp n ASN 6 Ca 0.10 -1.84 0.11 0.00 -0.03 0.00 0.00 54.58 52.92 3khp n ASN 6 Cb 0.20 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 3khp n ASN 6 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3khp n SER 7 N 0.80 1.59 -4.67 6.41 3.41 -0.99 -4.92 113.62 115.25 3khp n SER 7 Ca 0.17 -1.25 -0.47 0.00 -0.26 0.00 0.00 58.87 57.06 3khp n SER 7 Cb 0.44 0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 3khp n SER 7 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3khp n ILE 8 N -0.45 0.21 0.00 -1.33 5.41 -1.26 -0.32 119.36 121.61 3khp n ILE 8 Ca 0.09 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3khp n ILE 8 Cb 0.42 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 3khp n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3khp n GLY 9 N 3.72 1.88 3.75 7.39 0.00 -0.20 -5.01 105.19 116.71 3khp n GLY 9 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3khp n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khp s ALA 10 N -2.52 2.71 0.02 4.61 0.00 0.56 -4.73 121.76 122.41 3khp s ALA 10 Ca 0.00 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 3khp s ALA 10 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3khp s ALA 10 CO 0.00 -1.40 0.08 0.14 0.00 0.00 0.00 175.76 174.58 3khp s VAL 11 N -1.34 0.11 0.34 0.00 -7.23 -1.26 -1.84 120.40 109.18 3khp s VAL 11 Ca 0.74 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.98 3khp s VAL 11 Cb -0.39 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3khp s VAL 11 CO 0.45 -0.52 0.53 0.42 -0.31 0.00 0.00 175.10 175.66 3khp s THR 12 N -2.00 4.90 0.62 5.32 -4.23 -0.87 -5.01 115.64 114.37 3khp s THR 12 Ca -0.10 -0.60 -0.14 0.00 -1.18 0.00 0.00 61.69 59.66 3khp s THR 12 Cb -0.05 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 3khp s THR 12 CO -0.02 -0.46 1.06 -1.61 -0.54 0.00 0.00 174.62 173.05 3khp s GLU 13 N -4.28 3.19 0.20 3.99 0.41 -1.26 -4.44 118.70 116.51 3khp s GLU 13 Ca 0.40 1.14 -0.32 0.00 -0.41 0.00 0.00 54.97 55.78 3khp s GLU 13 Cb -0.10 -2.02 -0.14 0.00 -1.78 0.00 0.00 34.13 30.09 3khp s GLU 13 CO 0.35 -0.91 1.35 -2.30 -0.49 0.00 0.00 175.26 173.26 3khp n PRO 14 N -2.35 1.72 -5.04 0.39 -0.02 -1.26 -4.72 135.00 123.71 3khp n PRO 14 Ca 0.08 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 3khp n PRO 14 Cb 0.53 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 3khp n PRO 14 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3khp s MET 15 N -0.16 2.76 -0.20 -0.52 1.75 0.47 -4.89 119.30 118.52 3khp s MET 15 Ca 0.72 -0.78 -0.29 0.00 -1.25 0.00 0.00 55.69 54.09 3khp s MET 15 Cb -0.74 -2.12 -0.00 0.00 2.84 0.00 0.00 34.83 34.81 3khp s MET 15 CO 0.49 0.13 1.18 -1.17 -0.65 0.00 0.00 175.02 175.00 3khp s LEU 16 N 0.45 4.14 -0.20 4.11 2.96 -1.26 -0.20 118.68 128.69 3khp s LEU 16 Ca -0.17 1.55 -0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3khp s LEU 16 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3khp s LEU 16 CO 0.07 -0.74 -0.01 0.12 -1.32 0.00 0.00 176.35 174.46 3khp s PHE 17 N 3.43 3.02 0.08 5.38 5.36 0.10 -4.95 117.98 130.40 3khp s PHE 17 Ca 0.51 -0.51 0.09 0.00 -0.96 0.00 0.00 56.93 56.06 3khp s PHE 17 Cb -0.19 -2.07 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 3khp s PHE 17 CO 0.12 -0.26 -0.25 -1.21 -1.46 0.00 0.00 175.22 172.15 3khp s GLU 18 N 0.99 1.55 0.06 10.12 2.02 -1.26 0.30 118.70 132.49 3khp s GLU 18 Ca 0.01 -1.17 -0.16 0.00 0.02 0.00 0.00 54.97 53.68 3khp s GLU 18 Cb -0.14 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.28 3khp s GLU 18 CO 0.01 0.46 0.36 1.67 0.02 0.00 0.00 175.26 177.78 3khp s TRP 19 N -0.92 -0.17 0.54 1.61 -2.14 -0.39 -5.00 118.94 112.48 3khp s TRP 19 Ca 0.11 0.02 0.03 0.00 2.66 0.00 0.00 56.10 58.92 3khp s TRP 19 Cb -0.10 0.17 0.02 0.00 -3.10 0.00 0.00 33.47 30.46 3khp s TRP 19 CO 0.03 -0.57 0.22 0.95 -2.66 0.00 0.00 176.95 174.92 3khp s THR 20 N -2.85 1.30 0.42 0.66 -4.23 -1.26 -1.52 115.64 108.15 3khp s THR 20 Ca -0.03 -1.74 0.18 0.00 -1.18 0.00 0.00 61.69 58.93 3khp s THR 20 Cb 0.00 -2.04 0.20 0.00 1.34 0.00 0.00 72.50 72.00 3khp s THR 20 CO -0.05 0.00 1.98 -2.24 -0.54 0.00 0.00 174.62 173.77 3khp h ASP 21 N 0.98 0.00 -0.93 3.99 3.04 -1.93 -1.59 116.42 119.98 3khp h ASP 21 Ca -0.40 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.46 3khp h ASP 21 Cb 1.32 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.54 3khp h ASP 21 CO 0.65 0.20 0.60 -0.09 -2.04 0.00 0.00 179.24 178.56 3khp h ARG 22 N 0.00 1.01 -0.50 4.15 2.43 -1.96 -0.46 114.38 119.05 3khp h ARG 22 Ca -0.00 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3khp h ARG 22 Cb 0.40 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3khp h ARG 22 CO 0.03 0.67 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.65 3khp h ASP 23 N 1.04 0.93 0.75 -3.80 3.32 -1.62 0.62 116.42 117.67 3khp h ASP 23 Ca 0.41 -0.34 -0.25 0.00 0.02 0.00 0.00 57.03 56.86 3khp h ASP 23 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3khp h ASP 23 CO -0.16 1.05 -1.17 0.71 -1.72 0.00 0.00 179.24 177.95 3khp h THR 24 N 0.79 1.56 0.08 0.35 1.35 -1.40 -1.21 112.91 114.43 3khp h THR 24 Ca 0.13 -3.18 -0.00 0.00 -0.55 0.00 0.00 66.41 62.81 3khp h THR 24 Cb 0.61 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3khp h THR 24 CO 0.04 0.92 -0.04 -0.07 -0.25 0.00 0.00 175.52 176.12 3khp h LEU 25 N 0.05 -0.09 -1.37 3.87 3.38 -1.10 -1.66 115.31 118.38 3khp h LEU 25 Ca -0.10 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3khp h LEU 25 Cb 1.90 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.64 3khp h LEU 25 CO 0.18 0.06 0.46 0.25 0.09 0.00 0.00 178.44 179.48 3khp h LEU 26 N -0.24 0.70 0.03 1.67 5.85 -0.76 -1.72 115.31 120.83 3khp h LEU 26 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3khp h LEU 26 Cb 0.20 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3khp h LEU 26 CO 0.02 0.47 -0.01 0.22 -0.34 0.00 0.00 178.44 178.80 3khp h TYR 27 N 0.80 -0.04 -0.45 1.25 3.20 -1.13 0.18 116.97 120.79 3khp h TYR 27 Ca 0.28 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.24 3khp h TYR 27 Cb 0.12 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.31 3khp h TYR 27 CO -0.00 0.31 -0.17 0.00 -1.64 0.00 0.00 178.16 176.66 3khp h ALA 28 N 0.56 0.19 -0.53 1.82 0.00 -0.73 -0.05 119.26 120.52 3khp h ALA 28 Ca -0.00 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3khp h ALA 28 Cb 0.37 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3khp h ALA 28 CO 0.01 -0.51 0.11 0.82 0.00 0.00 0.00 179.25 179.67 3khp h ILE 29 N -0.07 1.23 -0.98 0.00 2.04 -1.26 -1.14 117.51 117.33 3khp h ILE 29 Ca 0.22 -0.85 0.18 0.00 1.00 0.00 0.00 64.86 65.40 3khp h ILE 29 Cb 0.41 0.70 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 3khp h ILE 29 CO -0.50 0.31 0.58 1.23 0.00 0.00 0.00 178.15 179.77 3khp h GLY 30 N 0.97 1.70 -3.57 5.37 0.00 0.77 0.70 103.07 109.02 3khp h GLY 30 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3khp h GLY 30 CO 0.00 -0.04 0.03 3.33 0.00 0.00 0.00 176.54 179.86 3khp n VAL 31 N -4.78 2.80 -0.23 4.60 0.24 -0.22 -4.43 118.33 116.31 3khp n VAL 31 Ca 0.22 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 3khp n VAL 31 Cb 0.53 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 3khp n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khp n GLY 32 N 0.53 0.75 3.77 7.63 0.00 0.24 -4.35 105.19 113.75 3khp n GLY 32 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3khp n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khp s ALA 33 N -2.23 3.54 0.00 4.61 0.00 -0.49 -4.96 121.76 122.23 3khp s ALA 33 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3khp s ALA 33 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3khp s ALA 33 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3khp n GLY 34 N 1.07 5.42 0.02 0.00 0.00 -1.26 -4.08 105.19 106.35 3khp n GLY 34 Ca 0.02 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.85 3khp n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3khp n THR 35 N 0.00 1.48 0.67 2.61 -2.24 -1.26 -2.67 114.28 112.86 3khp n THR 35 Ca 0.00 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.31 3khp n THR 35 Cb 0.00 -1.30 0.24 0.00 -2.10 0.00 0.00 70.33 67.17 3khp n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3khp n GLY 36 N -0.82 -1.44 2.41 3.38 0.00 -1.26 -4.41 105.19 103.05 3khp n GLY 36 Ca 0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 3khp n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3khp n ASP 37 N -2.01 -0.85 0.21 1.61 3.85 -1.09 -4.97 116.55 113.29 3khp n ASP 37 Ca 0.04 -2.57 0.15 0.00 -0.71 0.00 0.00 54.79 51.70 3khp n ASP 37 Cb 0.42 -0.14 0.63 0.00 -1.35 0.00 0.00 41.12 40.67 3khp n ASP 37 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 3khp h LEU 38 N 5.07 0.00 -1.89 -2.12 3.38 -1.77 -0.87 115.31 117.11 3khp h LEU 38 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3khp h LEU 38 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3khp h LEU 38 CO 0.34 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.77 3khp h ALA 39 N 2.12 1.71 0.00 1.53 0.00 -1.87 -1.02 119.26 121.73 3khp h ALA 39 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3khp h ALA 39 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3khp h ALA 39 CO 0.00 0.12 -2.00 1.19 0.00 0.00 0.00 179.25 178.57 3khp n PHE 40 N -4.24 0.20 0.48 0.00 3.72 -0.34 -0.86 117.46 116.42 3khp n PHE 40 Ca -0.03 0.07 0.07 0.00 -0.05 0.00 0.00 57.45 57.51 3khp n PHE 40 Cb 0.18 -0.79 0.07 0.00 -0.94 0.00 0.00 39.48 38.00 3khp n PHE 40 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3khp n THR 41 N -2.55 0.11 -3.90 4.37 -2.24 -1.16 -4.53 114.28 104.38 3khp n THR 41 Ca -0.15 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 60.97 3khp n THR 41 Cb 0.82 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 70.14 3khp n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3khp s THR 42 N -1.12 0.10 -0.21 4.28 -4.23 -0.39 -5.01 115.64 109.06 3khp s THR 42 Ca 0.17 -0.81 0.12 0.00 -1.18 0.00 0.00 61.69 59.99 3khp s THR 42 Cb 0.12 -0.50 -0.17 0.00 1.34 0.00 0.00 72.50 73.29 3khp s THR 42 CO 0.17 -0.45 0.35 -1.84 -0.54 0.00 0.00 174.62 172.32 3khp n GLU 43 N 1.33 1.33 -0.69 3.99 0.00 -1.26 -4.26 120.64 121.08 3khp n GLU 43 Ca -0.22 -0.07 0.05 0.00 0.00 0.00 0.00 57.16 56.92 3khp n GLU 43 Cb 0.56 -1.21 0.11 0.00 0.00 0.00 0.00 31.44 30.90 3khp n GLU 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3khp n ASN 44 N -1.70 1.40 -4.84 -1.84 6.94 -1.26 -4.55 115.26 109.41 3khp n ASN 44 Ca -0.01 -2.93 -0.33 0.00 -0.02 0.00 0.00 54.58 51.30 3khp n ASN 44 Cb 0.27 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.23 3khp n ASN 44 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3khp s SER 45 N -2.48 6.83 -0.02 0.53 0.01 -1.26 -4.97 113.70 112.35 3khp s SER 45 Ca 0.29 1.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.63 3khp s SER 45 Cb 0.29 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 3khp s SER 45 CO -0.06 -0.21 1.66 -2.28 0.41 0.00 0.00 173.24 172.75 3khp s HIS 46 N -1.98 2.09 -0.70 2.43 2.46 -1.26 -2.81 115.29 115.52 3khp s HIS 46 Ca 0.55 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.30 3khp s HIS 46 Cb -0.11 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 3khp s HIS 46 CO 0.17 -3.87 0.00 0.41 -2.47 0.00 0.00 174.74 168.98 3khp n GLY 47 N 4.09 0.46 2.76 1.59 0.00 -1.26 -5.01 105.19 107.83 3khp n GLY 47 Ca 0.17 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 3khp n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khp s ILE 48 N -2.33 -0.33 0.20 -0.61 1.01 -1.12 -5.12 121.20 112.90 3khp s ILE 48 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3khp s ILE 48 Cb 0.00 -0.66 -0.08 0.00 0.01 0.00 0.00 42.46 41.73 3khp s ILE 48 CO 0.00 -0.18 0.96 -1.81 0.00 0.00 0.00 174.94 173.91 3khp s ASP 49 N 2.33 7.58 0.23 3.58 1.01 -1.26 -4.37 116.67 125.77 3khp s ASP 49 Ca 0.07 1.92 -0.32 0.00 0.71 0.00 0.00 52.55 54.93 3khp s ASP 49 Cb -0.15 -2.60 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 3khp s ASP 49 CO -0.12 0.07 1.67 1.67 0.21 0.00 0.00 175.17 178.67 3khp n GLN 50 N 1.88 2.70 -4.10 8.23 7.27 -1.26 -4.79 117.38 127.30 3khp n GLN 50 Ca -0.01 0.97 -0.27 0.00 0.07 0.00 0.00 57.00 57.76 3khp n GLN 50 Cb 0.48 -2.79 -0.06 0.00 2.41 0.00 0.00 30.24 30.28 3khp n GLN 50 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3khp s GLN 51 N 0.59 2.79 -0.14 3.69 -0.21 -0.04 -4.84 119.66 121.51 3khp s GLN 51 Ca 0.72 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 3khp s GLN 51 Cb -0.52 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 3khp s GLN 51 CO 0.38 0.50 -0.08 0.08 -2.12 0.00 0.00 175.29 174.05 3khp s VAL 52 N -1.64 3.50 0.39 1.09 1.01 -1.26 -4.36 120.40 119.13 3khp s VAL 52 Ca 0.30 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 3khp s VAL 52 Cb -0.10 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 3khp s VAL 52 CO 0.22 0.52 1.34 -0.76 0.00 0.00 0.00 175.10 176.41 3khp s LEU 53 N 0.25 4.27 0.42 3.92 1.43 -1.26 -4.78 118.68 122.93 3khp s LEU 53 Ca -0.06 2.74 0.22 0.00 -1.03 0.00 0.00 54.13 56.00 3khp s LEU 53 Cb -0.15 -3.82 0.85 0.00 0.03 0.00 0.00 46.19 43.10 3khp s LEU 53 CO 0.04 -0.81 1.80 1.55 0.23 0.00 0.00 176.35 179.16 3khp h PRO 54 N 2.85 0.00 0.00 1.29 0.13 -1.93 -1.16 132.00 133.18 3khp h PRO 54 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3khp h PRO 54 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3khp h PRO 54 CO 0.63 0.28 0.00 0.25 -0.23 0.00 0.00 178.00 178.94 3khp n THR 55 N -3.48 1.49 0.22 1.56 -2.24 -1.26 -1.34 114.28 109.23 3khp n THR 55 Ca -0.00 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.29 3khp n THR 55 Cb 0.45 -1.25 0.72 0.00 -2.10 0.00 0.00 70.33 68.15 3khp n THR 55 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3khp h TYR 56 N 0.00 0.00 -0.30 4.78 3.20 -1.57 -2.33 116.97 120.75 3khp h TYR 56 Ca 0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3khp h TYR 56 Cb 0.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3khp h TYR 56 CO 0.00 0.00 0.25 0.00 -1.64 0.00 0.00 178.16 176.77 3khp h ALA 57 N 1.82 2.14 0.00 1.82 0.00 -1.43 -0.80 119.26 122.82 3khp h ALA 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3khp h ALA 57 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3khp h ALA 57 CO 0.00 -0.41 0.00 -0.39 0.00 0.00 0.00 179.25 178.45 3khp h VAL 58 N 0.00 0.00 0.03 0.00 -1.51 -1.68 0.12 116.25 113.20 3khp h VAL 58 Ca 0.14 -0.38 -0.39 0.00 -1.23 0.00 0.00 66.70 64.85 3khp h VAL 58 Cb 0.64 1.28 -0.06 0.00 -2.13 0.00 0.00 31.29 31.02 3khp h VAL 58 CO -0.00 0.00 -2.32 -0.38 -1.23 0.00 0.00 177.57 173.64 3khp n ILE 59 N -2.79 1.56 1.14 7.19 2.08 -0.34 -4.01 119.36 124.20 3khp n ILE 59 Ca 0.01 -0.52 0.12 0.00 0.56 0.00 0.00 62.75 62.93 3khp n ILE 59 Cb 0.26 -1.62 0.28 0.00 -0.75 0.00 0.00 39.64 37.81 3khp n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3khp s PRO 62 N -2.93 4.46 0.00 0.00 0.04 -1.25 -4.52 135.00 130.80 3khp s PRO 62 Ca 0.29 1.86 0.22 0.00 0.04 0.00 0.00 61.00 63.41 3khp s PRO 62 Cb 0.44 -3.28 1.33 0.00 0.04 0.00 0.00 34.50 33.03 3khp s PRO 62 CO 0.02 -0.18 1.73 0.00 0.04 0.00 0.00 177.00 178.61 3khp n ALA 63 N 3.15 2.41 -0.24 8.56 0.00 -1.26 -4.42 120.51 128.70 3khp n ALA 63 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 3khp n ALA 63 Cb 0.45 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.59 3khp n ALA 63 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3khp h PHE 64 N 0.00 0.88 -1.35 0.00 0.04 -1.92 -2.97 116.94 111.62 3khp h PHE 64 Ca 0.00 -0.00 0.39 0.00 2.80 0.00 0.00 57.97 61.16 3khp h PHE 64 Cb 0.00 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 37.80 3khp h PHE 64 CO 0.00 0.59 0.96 0.78 -0.60 0.00 0.00 178.31 180.04 3khp h GLY 65 N 0.91 0.16 2.00 -1.45 0.00 -1.99 -1.57 103.07 101.13 3khp h GLY 65 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3khp h GLY 65 CO -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.46 3khp h ALA 66 N 1.35 1.00 -0.61 3.60 0.00 -1.84 -3.12 119.26 119.64 3khp h ALA 66 Ca 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.57 3khp h ALA 66 Cb 2.54 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.30 3khp h ALA 66 CO -0.05 0.00 0.38 0.00 0.00 0.00 0.00 179.25 179.58 3khp h ALA 67 N 2.02 1.52 -0.01 0.00 0.00 -1.50 -2.05 119.26 119.23 3khp h ALA 67 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3khp h ALA 67 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3khp h ALA 67 CO 0.00 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.72 3khp h ALA 68 N 1.58 1.20 0.00 0.00 0.00 -1.67 0.63 119.26 121.00 3khp h ALA 68 Ca 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3khp h ALA 68 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3khp h ALA 68 CO -0.04 -0.05 -0.11 0.87 0.00 0.00 0.00 179.25 179.92 3khp h LYS 69 N 0.00 0.00 0.00 0.00 1.79 -1.59 -3.37 116.57 113.40 3khp h LYS 69 Ca 0.01 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.03 3khp h LYS 69 Cb 0.09 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.67 3khp h LYS 69 CO -0.00 0.11 -2.53 0.28 -1.08 0.00 0.00 179.45 176.23 3khp n VAL 70 N -3.20 1.51 -2.32 0.50 0.31 0.16 -4.79 118.33 110.50 3khp n VAL 70 Ca 0.01 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3khp n VAL 70 Cb 0.43 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3khp n VAL 70 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3khp n GLY 71 N 1.51 1.69 0.43 2.92 0.00 -0.86 0.16 105.19 111.03 3khp n GLY 71 Ca -0.52 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 44.97 3khp n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3khp n THR 72 N 0.00 0.70 -0.69 2.61 -2.24 -1.26 -3.98 114.28 109.42 3khp n THR 72 Ca 0.00 -0.85 -0.30 0.00 -2.27 0.00 0.00 64.05 60.63 3khp n THR 72 Cb 0.00 0.70 0.19 0.00 -2.10 0.00 0.00 70.33 69.12 3khp n THR 72 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3khp s PHE 73 N -0.90 1.59 -0.21 4.78 -0.12 -1.26 -4.92 117.98 116.93 3khp s PHE 73 Ca 0.15 1.58 -0.29 0.00 -0.05 0.00 0.00 56.93 58.32 3khp s PHE 73 Cb 0.08 -3.25 -0.02 0.00 -0.63 0.00 0.00 43.02 39.20 3khp s PHE 73 CO 0.11 -3.09 1.50 1.21 -0.05 0.00 0.00 175.22 174.90 3khp s ASN 74 N -2.68 6.55 0.16 1.98 3.84 -1.26 -4.90 114.94 118.64 3khp s ASN 74 Ca 0.67 1.61 0.18 0.00 0.21 0.00 0.00 52.86 55.53 3khp s ASN 74 Cb -0.23 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 38.72 3khp s ASN 74 CO 0.60 -1.11 1.55 -0.81 -2.79 0.00 0.00 177.10 174.54 3khp n PRO 75 N 7.38 0.11 -0.03 0.43 -0.05 -1.26 -3.28 135.00 138.29 3khp n PRO 75 Ca 0.17 0.41 0.09 0.00 -0.05 0.00 0.00 63.50 64.12 3khp n PRO 75 Cb 0.45 -1.73 0.09 0.00 -0.05 0.00 0.00 33.50 32.26 3khp n PRO 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3khp n ALA 76 N -1.66 2.45 -2.33 0.55 0.00 -1.26 -4.87 120.51 113.40 3khp n ALA 76 Ca 0.02 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.42 3khp n ALA 76 Cb 0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 3khp n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khp s ALA 77 N -1.39 2.24 -1.37 0.00 0.00 -1.21 -4.83 121.76 115.21 3khp s ALA 77 Ca 0.22 -1.94 0.27 0.00 0.00 0.00 0.00 51.96 50.51 3khp s ALA 77 Cb 0.15 -4.55 0.79 0.00 0.00 0.00 0.00 23.12 19.51 3khp s ALA 77 CO 0.22 -4.17 1.59 1.28 0.00 0.00 0.00 175.76 174.68 3khp n LEU 78 N 11.21 0.63 -4.67 0.00 4.77 -1.26 -4.68 117.00 123.00 3khp n LEU 78 Ca 0.37 -0.04 -0.46 0.00 -0.03 0.00 0.00 56.01 55.85 3khp n LEU 78 Cb 0.49 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3khp n LEU 78 CO 0.63 0.13 1.20 -0.11 -1.33 0.00 0.00 177.39 177.92 3khp n LEU 79 N -1.11 3.16 0.00 2.23 7.94 -1.26 0.28 117.00 128.23 3khp n LEU 79 Ca 0.10 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3khp n LEU 79 Cb 0.33 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.84 3khp n LEU 79 CO 0.29 -0.26 0.00 1.41 -1.11 0.00 0.00 177.39 177.72 3khp n HIS 80 N 3.43 0.00 -1.69 1.96 8.25 0.16 -4.60 115.22 122.72 3khp n HIS 80 Ca 0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.61 3khp n HIS 80 Cb 0.29 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 31.04 3khp n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3khp n GLY 81 N -1.91 -0.16 3.06 -1.41 0.00 0.14 -4.71 105.19 100.20 3khp n GLY 81 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 3khp n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khp s SER 82 N -1.29 0.37 -0.03 1.61 0.01 -0.31 -0.64 113.70 113.42 3khp s SER 82 Ca 0.05 -0.78 0.02 0.00 1.31 0.00 0.00 55.95 56.55 3khp s SER 82 Cb -0.00 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.41 3khp s SER 82 CO 0.03 -0.49 -0.07 -1.58 0.41 0.00 0.00 173.24 171.54 3khp s GLN 83 N -2.94 0.87 0.07 12.44 2.00 -0.46 -0.99 119.66 130.65 3khp s GLN 83 Ca -0.02 -0.21 0.07 0.00 -2.00 0.00 0.00 55.36 53.19 3khp s GLN 83 Cb 0.01 -0.83 -0.03 0.00 0.80 0.00 0.00 33.01 32.96 3khp s GLN 83 CO -0.06 0.03 -0.18 0.20 -0.50 0.00 0.00 175.29 174.78 3khp s GLY 84 N 0.46 1.03 0.07 2.59 0.00 0.65 -1.76 107.32 110.36 3khp s GLY 84 Ca -0.07 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.63 3khp s GLY 84 CO 0.00 -1.05 -0.10 -0.26 0.00 0.00 0.00 173.10 171.70 3khp s ILE 85 N -1.05 0.80 -0.02 0.90 -4.36 -0.31 -0.72 121.20 116.44 3khp s ILE 85 Ca 0.04 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3khp s ILE 85 Cb -0.09 -1.00 0.03 0.00 1.25 0.00 0.00 42.46 42.64 3khp s ILE 85 CO 0.03 -0.42 0.02 -0.60 0.24 0.00 0.00 174.94 174.20 3khp s ARG 86 N -2.10 0.03 0.00 0.37 3.52 0.22 -2.38 118.95 118.61 3khp s ARG 86 Ca -0.02 0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 3khp s ARG 86 Cb -0.07 -0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.01 3khp s ARG 86 CO 0.00 -0.15 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.75 3khp s LEU 87 N 0.98 3.09 -0.00 -0.88 2.01 0.12 -0.52 118.68 123.47 3khp s LEU 87 Ca -0.08 -0.17 0.03 0.00 0.01 0.00 0.00 54.13 53.91 3khp s LEU 87 Cb -0.12 -1.76 -0.03 0.00 0.01 0.00 0.00 46.19 44.28 3khp s LEU 87 CO -0.03 0.29 0.12 1.41 1.01 0.00 0.00 176.35 179.15 3khp n HIS 88 N 1.63 0.00 -3.82 0.29 8.25 0.43 -4.84 115.22 117.16 3khp n HIS 88 Ca -0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 3khp n HIS 88 Cb 0.52 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 3khp n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3khp s ALA 89 N -1.32 -0.57 0.59 -1.41 0.00 -1.21 -4.98 121.76 112.86 3khp s ALA 89 Ca 0.01 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 3khp s ALA 89 Cb 0.02 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 3khp s ALA 89 CO 0.12 -0.74 1.22 -2.14 0.00 0.00 0.00 175.76 174.21 3khp s PRO 90 N -3.91 2.97 -0.04 0.00 0.02 -1.26 -4.93 135.00 127.85 3khp s PRO 90 Ca 0.12 1.85 -0.22 0.00 0.02 0.00 0.00 61.00 62.77 3khp s PRO 90 Cb 0.01 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3khp s PRO 90 CO -0.02 -1.22 0.65 -0.51 -0.33 0.00 0.00 177.00 175.57 3khp s LEU 91 N -4.05 4.36 0.51 -5.54 1.43 -1.26 -5.04 118.68 109.09 3khp s LEU 91 Ca 0.77 1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 54.87 3khp s LEU 91 Cb -0.31 -3.01 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 3khp s LEU 91 CO 0.34 -0.02 1.00 -2.16 0.23 0.00 0.00 176.35 175.74 3khp s PRO 92 N 0.36 3.87 0.34 1.29 0.04 -1.26 -4.37 135.00 135.26 3khp s PRO 92 Ca 0.34 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.53 3khp s PRO 92 Cb -0.18 -2.12 0.78 0.00 0.04 0.00 0.00 34.50 33.02 3khp s PRO 92 CO 0.18 -0.35 1.85 0.00 0.04 0.00 0.00 177.00 178.72 3khp h ALA 93 N 1.05 1.78 -4.12 8.56 0.00 -1.95 -3.39 119.26 121.19 3khp h ALA 93 Ca -0.47 0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.01 3khp h ALA 93 Cb 1.19 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 18.56 3khp h ALA 93 CO 0.60 -0.04 -0.80 0.00 0.00 0.00 0.00 179.25 179.02 3khp s ALA 94 N -5.74 0.99 0.00 0.00 0.00 -1.26 -3.14 121.76 112.61 3khp s ALA 94 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3khp s ALA 94 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3khp s ALA 94 CO 0.79 0.24 0.00 0.41 0.00 0.00 0.00 175.76 177.20 3khp n GLY 95 N 2.80 -0.73 3.02 0.00 0.00 -0.57 -4.99 105.19 104.71 3khp n GLY 95 Ca -0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 3khp n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khp s LYS 96 N -0.37 0.30 0.03 1.61 1.02 -1.26 -1.26 119.74 119.81 3khp s LYS 96 Ca 0.00 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.72 3khp s LYS 96 Cb 0.00 0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.41 3khp s LYS 96 CO 0.00 -0.06 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.79 3khp s LEU 97 N -0.94 2.18 -0.38 3.17 1.43 0.15 -4.53 118.68 119.75 3khp s LEU 97 Ca -0.10 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 3khp s LEU 97 Cb -0.06 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 45.94 3khp s LEU 97 CO 0.00 -0.11 0.42 -0.55 0.23 0.00 0.00 176.35 176.34 3khp s SER 98 N -1.12 6.20 -0.14 2.29 0.15 -0.28 0.03 113.70 120.83 3khp s SER 98 Ca -0.06 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 3khp s SER 98 Cb -0.07 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 3khp s SER 98 CO 0.00 -0.48 -0.13 -0.69 1.20 0.00 0.00 173.24 173.14 3khp s VAL 99 N 2.12 3.01 -0.02 4.45 1.01 0.73 -1.48 120.40 130.22 3khp s VAL 99 Ca 0.13 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3khp s VAL 99 Cb -0.17 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3khp s VAL 99 CO 0.13 0.52 -0.24 -0.69 0.00 0.00 0.00 175.10 174.82 3khp s VAL 100 N 0.45 1.88 0.38 2.92 1.01 -0.53 -0.39 120.40 126.13 3khp s VAL 100 Ca -0.10 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.93 3khp s VAL 100 Cb -0.16 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 3khp s VAL 100 CO 0.05 0.53 0.00 0.42 0.00 0.00 0.00 175.10 176.10 3khp s THR 101 N -0.54 1.88 -0.21 3.92 -4.23 -1.26 -1.10 115.64 114.10 3khp s THR 101 Ca 0.09 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.32 3khp s THR 101 Cb -0.09 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 70.90 3khp s THR 101 CO -0.01 -0.03 0.68 -0.70 -0.54 0.00 0.00 174.62 174.02 3khp s GLU 102 N -3.73 0.86 -0.59 3.99 2.12 -0.40 -2.05 118.70 118.91 3khp s GLU 102 Ca 0.35 0.79 -0.28 0.00 0.36 0.00 0.00 54.97 56.19 3khp s GLU 102 Cb 0.09 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.92 3khp s GLU 102 CO 0.17 -0.15 1.30 0.08 -0.54 0.00 0.00 175.26 176.12 3khp s VAL 103 N -0.00 3.89 0.05 3.70 1.01 -0.77 -0.93 120.40 127.35 3khp s VAL 103 Ca -0.03 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 3khp s VAL 103 Cb -0.04 -4.62 -0.31 0.00 0.00 0.00 0.00 36.38 31.41 3khp s VAL 103 CO 0.03 -1.31 1.08 0.00 0.00 0.00 0.00 175.10 174.89 3khp h ALA 104 N 10.23 -0.05 -1.87 5.51 0.00 -0.06 -0.51 119.26 132.52 3khp h ALA 104 Ca -0.26 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 53.82 3khp h ALA 104 Cb 1.07 0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 3khp h ALA 104 CO 1.19 0.71 0.29 0.34 0.00 0.00 0.00 179.25 181.79 3khp s ASP 105 N -7.46 -0.58 -0.06 0.00 2.15 -1.08 -4.78 116.67 104.86 3khp s ASP 105 Ca -0.09 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.57 3khp s ASP 105 Cb 0.05 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.23 3khp s ASP 105 CO 0.93 -0.50 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.77 3khp s ILE 106 N -1.04 0.50 -0.07 4.11 1.01 -1.26 -0.57 121.20 123.89 3khp s ILE 106 Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3khp s ILE 106 Cb -0.01 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 3khp s ILE 106 CO 0.07 0.24 -0.22 -1.10 0.00 0.00 0.00 174.94 173.93 3khp s GLN 107 N 1.33 2.50 -0.27 2.79 -0.21 0.16 -4.49 119.66 121.47 3khp s GLN 107 Ca -0.05 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.51 3khp s GLN 107 Cb -0.13 -2.04 0.03 0.00 1.00 0.00 0.00 33.01 31.87 3khp s GLN 107 CO -0.02 0.27 -0.03 0.34 -2.12 0.00 0.00 175.29 173.73 3khp s ASP 108 N 0.09 4.59 0.00 5.90 -1.08 -0.22 -1.24 116.67 124.70 3khp s ASP 108 Ca -0.09 -1.02 0.24 0.00 -0.52 0.00 0.00 52.55 51.16 3khp s ASP 108 Cb -0.15 -1.69 0.67 0.00 -1.46 0.00 0.00 42.92 40.29 3khp s ASP 108 CO 0.05 -0.18 1.52 0.29 0.52 0.00 0.00 175.17 177.37 3khp n LYS 109 N 4.66 1.97 0.00 4.34 4.76 -0.76 -3.78 118.16 129.35 3khp n LYS 109 Ca -0.15 -1.44 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 3khp n LYS 109 Cb 0.46 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3khp n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3khp n GLY 110 N 1.25 2.36 3.70 0.72 0.00 -1.26 -4.72 105.19 107.25 3khp n GLY 110 Ca 0.17 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3khp n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3khp n GLU 111 N 0.39 2.24 -1.15 1.61 4.07 -1.26 -0.99 120.64 125.55 3khp n GLU 111 Ca 0.00 0.79 -0.05 0.00 -0.06 0.00 0.00 57.16 57.84 3khp n GLU 111 Cb 0.00 -2.44 -0.02 0.00 -0.06 0.00 0.00 31.44 28.91 3khp n GLU 111 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3khp n GLY 112 N 1.40 0.54 1.32 8.31 0.00 -1.26 -4.88 105.19 110.62 3khp n GLY 112 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3khp n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3khp n LYS 113 N -0.26 1.50 -3.17 1.61 5.02 -0.17 -4.80 118.16 117.89 3khp n LYS 113 Ca -0.05 -1.34 -0.30 0.00 -2.02 0.00 0.00 58.31 54.59 3khp n LYS 113 Cb 0.49 0.39 -0.04 0.00 -0.02 0.00 0.00 35.03 35.85 3khp n LYS 113 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3khp s ASN 114 N -2.01 6.54 -0.04 4.39 0.01 -1.26 -1.30 114.94 121.27 3khp s ASN 114 Ca 0.01 0.96 -0.14 0.00 -0.71 0.00 0.00 52.86 52.98 3khp s ASN 114 Cb 0.00 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3khp s ASN 114 CO 0.00 -0.24 0.37 0.00 -1.51 0.00 0.00 177.10 175.72 3khp s ALA 115 N -2.12 3.70 -0.16 0.60 0.00 -0.79 -1.83 121.76 121.16 3khp s ALA 115 Ca 0.48 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 3khp s ALA 115 Cb -0.11 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 3khp s ALA 115 CO 0.27 0.43 -0.14 0.42 0.00 0.00 0.00 175.76 176.75 3khp s ILE 116 N -0.82 2.80 -0.10 0.00 1.01 -0.37 0.16 121.20 123.88 3khp s ILE 116 Ca 0.22 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3khp s ILE 116 Cb -0.16 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3khp s ILE 116 CO 0.11 0.50 -0.21 -0.69 0.00 0.00 0.00 174.94 174.66 3khp s VAL 117 N 0.85 2.36 -0.19 2.92 1.01 -0.45 -0.66 120.40 126.25 3khp s VAL 117 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3khp s VAL 117 Cb -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3khp s VAL 117 CO -0.00 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 3khp s VAL 118 N 0.22 2.15 -0.06 2.92 1.01 0.27 -0.04 120.40 126.87 3khp s VAL 118 Ca -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3khp s VAL 118 Cb -0.17 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3khp s VAL 118 CO 0.07 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.80 3khp s LEU 119 N 1.29 2.89 -0.05 3.92 1.43 0.26 0.70 118.68 129.12 3khp s LEU 119 Ca 0.04 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3khp s LEU 119 Cb -0.13 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3khp s LEU 119 CO -0.12 0.34 -0.12 -0.60 0.23 0.00 0.00 176.35 176.08 3khp s ARG 120 N -0.70 1.53 0.02 1.70 3.52 -0.11 -0.81 118.95 124.10 3khp s ARG 120 Ca 0.11 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 3khp s ARG 120 Cb -0.11 -1.30 -0.03 0.00 -1.56 0.00 0.00 34.95 31.95 3khp s ARG 120 CO 0.01 0.06 -0.15 0.20 -0.81 0.00 0.00 175.30 174.61 3khp s GLY 121 N 0.53 1.60 -0.08 8.12 0.00 0.55 -1.27 107.32 116.77 3khp s GLY 121 Ca -0.11 -1.12 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 3khp s GLY 121 CO 0.03 -0.99 -0.05 0.50 0.00 0.00 0.00 173.10 172.59 3khp s ARG 122 N -1.32 1.04 -0.12 2.90 0.52 -0.26 -0.60 118.95 121.12 3khp s ARG 122 Ca 0.15 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.28 3khp s ARG 122 Cb -0.11 -1.16 -0.00 0.00 0.52 0.00 0.00 34.95 34.21 3khp s ARG 122 CO 0.05 -0.20 -0.21 0.20 0.02 0.00 0.00 175.30 175.16 3khp s GLY 123 N 1.48 1.38 0.10 -3.53 0.00 0.42 -1.45 107.32 105.72 3khp s GLY 123 Ca -0.01 -0.99 0.09 0.00 0.00 0.00 0.00 44.72 43.81 3khp s GLY 123 CO -0.04 -0.20 -0.24 0.00 0.00 0.00 0.00 173.10 172.62 3khp s ASP 125 N -1.80 6.60 0.36 0.00 2.15 -0.62 -1.12 116.67 122.23 3khp s ASP 125 Ca 0.10 2.41 0.13 0.00 0.43 0.00 0.00 52.55 55.63 3khp s ASP 125 Cb -0.10 -2.54 0.96 0.00 -0.30 0.00 0.00 42.92 40.94 3khp s ASP 125 CO 0.04 -0.95 1.78 -0.65 -0.17 0.00 0.00 175.17 175.23 3khp h PRO 126 N 9.44 0.52 0.15 4.34 0.11 -1.92 0.20 132.00 144.85 3khp h PRO 126 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3khp h PRO 126 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3khp h PRO 126 CO 0.94 0.34 -0.07 0.93 -0.21 0.00 0.00 178.00 179.94 3khp h GLU 127 N 0.54 -0.20 0.00 1.05 3.07 -1.97 -3.36 114.58 113.71 3khp h GLU 127 Ca 0.57 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 3khp h GLU 127 Cb 1.22 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3khp h GLU 127 CO -0.32 0.03 -0.11 0.66 -1.40 0.00 0.00 179.01 177.87 3khp h SER 128 N -1.02 0.00 0.00 1.42 4.64 -1.96 -3.47 113.55 113.16 3khp h SER 128 Ca -0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3khp h SER 128 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3khp h SER 128 CO 0.03 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3khp n GLY 129 N 1.28 0.41 3.78 -0.77 0.00 0.71 -4.99 105.19 105.61 3khp n GLY 129 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3khp n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khp s SER 130 N -2.38 6.72 -0.21 1.61 0.15 -1.25 -4.68 113.70 113.65 3khp s SER 130 Ca 0.00 2.15 -0.28 0.00 0.70 0.00 0.00 55.95 58.52 3khp s SER 130 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3khp s SER 130 CO 0.00 -0.53 0.99 -0.22 1.20 0.00 0.00 173.24 174.69 3khp s LEU 131 N -2.50 4.12 -0.25 3.45 2.96 -1.26 -1.59 118.68 123.60 3khp s LEU 131 Ca 0.57 1.34 -0.15 0.00 -0.22 0.00 0.00 54.13 55.66 3khp s LEU 131 Cb -0.25 -3.47 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 3khp s LEU 131 CO 0.32 -0.60 -0.32 0.52 -1.32 0.00 0.00 176.35 174.95 3khp n VAL 132 N 5.17 1.52 -4.05 1.68 0.31 0.14 -4.61 118.33 118.50 3khp n VAL 132 Ca 0.10 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.06 3khp n VAL 132 Cb 0.47 -1.99 -0.11 0.00 -0.91 0.00 0.00 33.84 31.30 3khp n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khp s ALA 133 N -2.58 0.46 0.06 3.52 0.00 -0.88 -0.42 121.76 121.92 3khp s ALA 133 Ca -0.36 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 50.87 3khp s ALA 133 Cb 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3khp s ALA 133 CO 0.48 -0.10 -0.17 -1.21 0.00 0.00 0.00 175.76 174.76 3khp s GLU 134 N -1.87 1.02 0.06 0.00 2.02 0.32 -0.43 118.70 119.82 3khp s GLU 134 Ca -0.09 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.01 3khp s GLU 134 Cb -0.08 -1.10 -0.03 0.00 0.10 0.00 0.00 34.13 33.03 3khp s GLU 134 CO -0.01 0.26 -0.10 0.95 0.02 0.00 0.00 175.26 176.38 3khp s THR 135 N -1.01 0.80 -0.09 3.63 -4.23 0.23 -0.61 115.64 114.36 3khp s THR 135 Ca 0.03 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3khp s THR 135 Cb -0.09 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.87 3khp s THR 135 CO 0.02 -0.37 0.00 -0.22 -0.54 0.00 0.00 174.62 173.51 3khp s LEU 136 N -1.82 0.70 -0.22 4.79 2.96 0.10 -0.33 118.68 124.86 3khp s LEU 136 Ca -0.04 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3khp s LEU 136 Cb -0.08 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.13 3khp s LEU 136 CO 0.01 -0.20 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.86 3khp s THR 137 N 1.94 2.90 -0.27 3.68 2.01 0.01 -0.25 115.64 125.66 3khp s THR 137 Ca 0.04 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 3khp s THR 137 Cb -0.13 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 3khp s THR 137 CO -0.06 0.37 0.11 -0.89 -0.69 0.00 0.00 174.62 173.46 3khp s THR 138 N 1.38 4.46 -0.14 -0.82 2.01 -0.16 -0.57 115.64 121.80 3khp s THR 138 Ca 0.04 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 3khp s THR 138 Cb -0.15 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3khp s THR 138 CO -0.06 0.23 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.33 3khp s LEU 139 N 1.62 3.42 -0.27 4.42 1.43 0.95 -1.17 118.68 129.08 3khp s LEU 139 Ca 0.06 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3khp s LEU 139 Cb -0.16 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3khp s LEU 139 CO 0.05 0.22 0.11 -0.69 0.23 0.00 0.00 176.35 176.28 3khp s VAL 140 N 0.06 4.62 -0.71 -1.59 1.01 -1.26 -1.34 120.40 121.19 3khp s VAL 140 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 3khp s VAL 140 Cb -0.13 -3.20 0.19 0.00 0.00 0.00 0.00 36.38 33.23 3khp s VAL 140 CO 0.02 0.27 0.63 -0.76 0.00 0.00 0.00 175.10 175.26 3khp s LEU 141 N 1.65 6.28 -0.13 3.92 1.43 0.12 -4.91 118.68 127.04 3khp s LEU 141 Ca 0.06 -2.53 -0.36 0.00 -1.03 0.00 0.00 54.13 50.27 3khp s LEU 141 Cb -0.16 -2.12 -0.14 0.00 0.03 0.00 0.00 46.19 43.81 3khp s LEU 141 CO 0.06 -0.58 1.79 -2.11 0.23 0.00 0.00 176.35 175.73 3khp n ARG 142 N 4.13 1.76 -0.99 1.70 -4.01 -1.26 -1.89 116.66 116.09 3khp n ARG 142 Ca 0.07 0.64 0.00 0.00 -1.04 0.00 0.00 57.85 57.52 3khp n ARG 142 Cb 0.44 -2.41 0.00 0.00 -3.04 0.00 0.00 32.46 27.44 3khp n ARG 142 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3khp n GLY 143 N 4.17 0.32 1.45 2.89 0.00 -1.19 -4.88 105.19 107.95 3khp n GLY 143 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 3khp n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3khp n GLN 144 N -1.51 3.56 -0.44 1.61 1.13 -0.87 -4.25 117.38 116.61 3khp n GLN 144 Ca 0.00 -2.81 -0.17 0.00 -1.94 0.00 0.00 57.00 52.08 3khp n GLN 144 Cb 0.18 -1.82 0.15 0.00 0.11 0.00 0.00 30.24 28.86 3khp n GLN 144 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3khp n GLY 145 N 1.00 -3.02 1.85 1.08 0.00 -0.42 -4.49 105.19 101.18 3khp n GLY 145 Ca 0.24 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 3khp n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 146 N -2.12 0.42 0.12 -0.02 0.00 -1.17 -4.25 105.19 98.18 3khp n GLY 146 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.72 3khp n GLY 146 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3khp n PHE 147 N -2.54 0.09 -0.72 1.61 1.16 -1.26 -4.82 117.46 110.99 3khp n PHE 147 Ca -0.03 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 55.04 3khp n PHE 147 Cb 0.53 -0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 3khp n PHE 147 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3khp n GLY 148 N -0.31 0.92 4.01 4.97 0.00 -1.26 -4.69 105.19 108.83 3khp n GLY 148 Ca 0.02 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 3khp n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3khp s GLY 149 N -2.49 1.74 0.15 -0.02 0.00 -1.26 -4.89 107.32 100.55 3khp s GLY 149 Ca 0.00 -1.92 -0.24 0.00 0.00 0.00 0.00 44.72 42.56 3khp s GLY 149 CO 0.00 -1.36 0.72 0.00 0.00 0.00 0.00 173.10 172.46 3khp s ALA 150 N -3.01 3.48 0.07 3.20 0.00 -1.26 -4.72 121.76 119.52 3khp s ALA 150 Ca 0.66 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 3khp s ALA 150 Cb -0.05 -2.87 -0.16 0.00 0.00 0.00 0.00 23.12 20.04 3khp s ALA 150 CO 0.43 0.32 1.64 -0.09 0.00 0.00 0.00 175.76 178.06 3khp h ARG 151 N 4.33 -0.11 0.00 0.00 2.43 -1.90 -0.56 114.38 118.56 3khp h ARG 151 Ca -0.48 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3khp h ARG 151 Cb 1.21 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3khp h ARG 151 CO 0.65 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 3khp n GLY 152 N -0.91 -2.02 2.87 2.80 0.00 -1.26 -3.87 105.19 102.80 3khp n GLY 152 Ca -0.08 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 3khp n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khp s GLU 153 N 0.00 1.03 0.10 1.61 2.02 -1.26 -5.09 118.70 117.11 3khp s GLU 153 Ca 0.00 -0.10 -0.31 0.00 0.02 0.00 0.00 54.97 54.58 3khp s GLU 153 Cb 0.00 -1.15 -0.09 0.00 0.10 0.00 0.00 34.13 32.99 3khp s GLU 153 CO 0.00 -0.20 1.75 -0.98 0.02 0.00 0.00 175.26 175.85 3khp s ARG 154 N 1.46 4.17 0.69 1.61 1.04 -1.26 -4.97 118.95 121.69 3khp s ARG 154 Ca -0.02 2.47 -0.16 0.00 -1.04 0.00 0.00 55.73 56.98 3khp s ARG 154 Cb -0.13 -3.59 0.02 0.00 -2.04 0.00 0.00 34.95 29.20 3khp s ARG 154 CO -0.04 -0.79 1.22 -2.14 -0.04 0.00 0.00 175.30 173.51 3khp s PRO 155 N 2.68 2.38 0.19 3.89 0.02 -1.26 -4.90 135.00 138.00 3khp s PRO 155 Ca 0.78 1.82 -0.32 0.00 0.02 0.00 0.00 61.00 63.29 3khp s PRO 155 Cb -0.43 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.11 3khp s PRO 155 CO 0.34 -1.66 1.70 0.00 -0.33 0.00 0.00 177.00 177.05 3khp n ALA 156 N -2.36 2.48 -1.77 -1.55 0.00 -1.26 -4.98 120.51 111.06 3khp n ALA 156 Ca 0.14 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 3khp n ALA 156 Cb 0.50 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3khp n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khp s ALA 157 N 1.22 2.81 0.53 0.00 0.00 -1.26 -5.00 121.76 120.07 3khp s ALA 157 Ca 0.76 0.91 -0.20 0.00 0.00 0.00 0.00 51.96 53.43 3khp s ALA 157 Cb -0.54 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 3khp s ALA 157 CO 0.34 -0.78 1.18 -2.14 0.00 0.00 0.00 175.76 174.36 3khp s PRO 158 N -3.01 3.35 -0.11 0.00 0.02 -1.26 -4.99 135.00 129.01 3khp s PRO 158 Ca 0.69 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 63.17 3khp s PRO 158 Cb -0.27 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 3khp s PRO 158 CO 0.32 -0.88 1.04 -2.00 -0.33 0.00 0.00 177.00 175.15 3khp s GLU 159 N -3.10 4.39 -0.31 5.54 2.12 -1.26 -5.00 118.70 121.09 3khp s GLU 159 Ca 0.71 1.43 -0.10 0.00 0.36 0.00 0.00 54.97 57.37 3khp s GLU 159 Cb -0.28 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 3khp s GLU 159 CO 0.32 -0.37 0.16 -0.06 -0.54 0.00 0.00 175.26 174.77 3khp s PHE 160 N 2.18 3.18 0.48 5.30 0.08 -1.26 -4.92 117.98 123.02 3khp s PHE 160 Ca 0.49 -0.41 -0.22 0.00 0.12 0.00 0.00 56.93 56.91 3khp s PHE 160 Cb -0.19 -2.36 -0.09 0.00 -0.57 0.00 0.00 43.02 39.81 3khp s PHE 160 CO 0.17 -0.39 0.87 -2.30 -0.10 0.00 0.00 175.22 173.47 3khp n PRO 161 N 5.00 1.03 -2.88 0.24 -0.02 -1.26 -4.87 135.00 132.24 3khp n PRO 161 Ca -0.14 0.38 -0.44 0.00 -2.02 0.00 0.00 63.50 61.28 3khp n PRO 161 Cb 0.50 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3khp n PRO 161 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3khp n ASP 162 N 0.32 5.19 -3.26 2.55 2.03 -1.26 -4.86 116.55 117.25 3khp n ASP 162 Ca 0.11 -2.98 -0.05 0.00 0.52 0.00 0.00 54.79 52.39 3khp n ASP 162 Cb 0.42 -1.58 0.02 0.00 -0.72 0.00 0.00 41.12 39.26 3khp n ASP 162 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3khp s ARG 163 N 1.77 1.60 0.51 -0.67 1.70 -1.26 -5.16 118.95 117.44 3khp s ARG 163 Ca 0.44 -1.02 -0.21 0.00 -0.47 0.00 0.00 55.73 54.47 3khp s ARG 163 Cb -0.02 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 3khp s ARG 163 CO 0.01 -0.75 1.13 -1.01 -1.08 0.00 0.00 175.30 173.60 3khp s HIS 164 N -2.31 2.77 0.54 5.89 3.76 -1.26 -4.98 115.29 119.70 3khp s HIS 164 Ca 0.19 1.55 -0.22 0.00 -0.15 0.00 0.00 55.06 56.43 3khp s HIS 164 Cb -0.03 -3.30 -0.06 0.00 1.11 0.00 0.00 32.58 30.30 3khp s HIS 164 CO 0.07 -1.49 1.27 -0.35 -0.85 0.00 0.00 174.74 173.39 3khp n PRO 165 N -0.99 1.56 0.21 8.40 -0.04 -1.26 -4.90 135.00 137.99 3khp n PRO 165 Ca 0.10 0.58 0.07 0.00 -0.04 0.00 0.00 63.50 64.20 3khp n PRO 165 Cb 0.50 -2.46 0.47 0.00 -0.04 0.00 0.00 33.50 31.97 3khp n PRO 165 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3khp h ASP 166 N 1.34 0.00 -4.07 3.54 3.32 -1.29 -3.45 116.42 115.80 3khp h ASP 166 Ca -0.50 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 3khp h ASP 166 Cb 1.32 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.65 3khp h ASP 166 CO 0.56 0.28 0.03 0.00 -1.72 0.00 0.00 179.24 178.39 3khp s ALA 167 N -4.05 -1.55 -0.21 3.45 0.00 -1.09 -5.01 121.76 113.30 3khp s ALA 167 Ca -0.02 1.69 0.01 0.00 0.00 0.00 0.00 51.96 53.64 3khp s ALA 167 Cb 0.13 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.38 3khp s ALA 167 CO 0.67 -0.30 -0.11 0.50 0.00 0.00 0.00 175.76 176.52 3khp s ARG 168 N 0.17 2.12 -0.33 0.00 3.52 -1.26 -0.71 118.95 122.46 3khp s ARG 168 Ca -0.01 -0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 3khp s ARG 168 Cb -0.04 -2.51 0.05 0.00 -1.56 0.00 0.00 34.95 30.89 3khp s ARG 168 CO 0.02 -0.44 0.08 0.42 -0.81 0.00 0.00 175.30 174.57 3khp s ILE 169 N 1.34 3.49 0.04 4.11 -1.09 -0.43 -4.95 121.20 123.72 3khp s ILE 169 Ca -0.02 -1.29 -0.28 0.00 -2.23 0.00 0.00 60.65 56.83 3khp s ILE 169 Cb -0.17 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 3khp s ILE 169 CO -0.08 -0.20 0.87 -1.81 -1.23 0.00 0.00 174.94 172.49 3khp s ASP 170 N 1.41 7.31 -0.11 3.58 1.01 -1.26 -0.94 116.67 127.67 3khp s ASP 170 Ca -0.02 1.57 -0.01 0.00 0.71 0.00 0.00 52.55 54.80 3khp s ASP 170 Cb -0.20 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.24 3khp s ASP 170 CO 0.01 -0.10 -0.05 -0.04 0.21 0.00 0.00 175.17 175.21 3khp s MET 171 N 0.34 1.23 0.72 8.23 -1.94 0.59 -4.99 119.30 123.48 3khp s MET 171 Ca 0.44 -0.21 -0.11 0.00 -1.71 0.00 0.00 55.69 54.10 3khp s MET 171 Cb -0.21 -1.52 0.02 0.00 2.01 0.00 0.00 34.83 35.13 3khp s MET 171 CO 0.26 -0.32 1.08 -1.25 -0.01 0.00 0.00 175.02 174.77 3khp s PRO 172 N 1.77 2.76 0.18 2.03 0.04 -1.26 -0.45 135.00 140.07 3khp s PRO 172 Ca 0.04 0.64 0.06 0.00 0.04 0.00 0.00 61.00 61.78 3khp s PRO 172 Cb -0.13 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3khp s PRO 172 CO -0.07 -1.15 -0.12 0.95 0.04 0.00 0.00 177.00 176.65 3khp s THR 173 N -3.22 1.47 0.04 1.26 -4.23 -1.11 -4.83 115.64 105.01 3khp s THR 173 Ca 0.58 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3khp s THR 173 Cb -0.12 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 3khp s THR 173 CO 0.53 -0.64 0.25 -0.13 -0.54 0.00 0.00 174.62 174.09 3khp s ARG 174 N -3.70 3.52 0.45 3.99 0.52 -1.26 -3.55 118.95 118.92 3khp s ARG 174 Ca 0.20 -0.21 0.18 0.00 -0.52 0.00 0.00 55.73 55.38 3khp s ARG 174 Cb 0.01 -3.04 1.14 0.00 0.52 0.00 0.00 34.95 33.59 3khp s ARG 174 CO 0.04 0.62 1.94 1.49 0.02 0.00 0.00 175.30 179.41 3khp h GLU 175 N 3.56 0.30 -0.63 3.54 4.22 -1.88 0.44 114.58 124.12 3khp h GLU 175 Ca -0.48 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3khp h GLU 175 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3khp h GLU 175 CO 0.70 0.20 0.00 -0.40 -2.18 0.00 0.00 179.01 177.33 3khp n ASP 176 N -4.45 5.05 -0.05 1.04 5.75 -1.26 -4.70 116.55 117.94 3khp n ASP 176 Ca 0.13 -2.58 -0.02 0.00 -0.01 0.00 0.00 54.79 52.31 3khp n ASP 176 Cb 0.56 -0.61 0.22 0.00 -1.03 0.00 0.00 41.12 40.26 3khp n ASP 176 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3khp h GLN 177 N 4.08 0.64 -0.15 0.11 4.15 -1.30 -2.31 115.11 120.33 3khp h GLN 177 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 3khp h GLN 177 Cb 1.60 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.20 3khp h GLN 177 CO 0.30 0.68 -0.05 0.00 -1.93 0.00 0.00 178.83 177.84 3khp h ALA 178 N 1.37 1.65 0.00 3.38 0.00 -1.84 0.01 119.26 123.83 3khp h ALA 178 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3khp h ALA 178 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3khp h ALA 178 CO 0.02 0.26 -0.15 -0.07 0.00 0.00 0.00 179.25 179.32 3khp h LEU 179 N 0.22 0.00 0.14 0.00 3.38 -1.69 -0.06 115.31 117.30 3khp h LEU 179 Ca 0.05 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 3khp h LEU 179 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3khp h LEU 179 CO 0.01 0.15 -1.90 0.40 0.09 0.00 0.00 178.44 177.19 3khp h ILE 180 N 0.00 0.72 -0.36 1.22 1.08 -1.42 -3.38 117.51 115.37 3khp h ILE 180 Ca -0.00 -2.38 0.03 0.00 -0.39 0.00 0.00 64.86 62.11 3khp h ILE 180 Cb 0.26 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.57 3khp h ILE 180 CO 0.02 0.87 0.24 0.22 -0.69 0.00 0.00 178.15 178.81 3khp h TYR 181 N 0.04 0.36 0.00 1.37 3.20 -0.76 -1.58 116.97 119.61 3khp h TYR 181 Ca -0.40 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3khp h TYR 181 Cb 2.03 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.18 3khp h TYR 181 CO 0.09 0.21 0.00 2.89 -1.64 0.00 0.00 178.16 179.71 3khp n ARG 182 N -4.49 0.16 -0.08 1.82 1.85 -0.06 -1.32 116.66 114.55 3khp n ARG 182 Ca 0.03 0.44 0.09 0.00 -1.00 0.00 0.00 57.85 57.42 3khp n ARG 182 Cb 0.15 -1.84 0.35 0.00 -1.05 0.00 0.00 32.46 30.07 3khp n ARG 182 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3khp n LEU 183 N -2.16 1.38 -0.64 2.89 4.77 -0.59 -1.73 117.00 120.91 3khp n LEU 183 Ca 0.02 -0.60 0.10 0.00 -0.03 0.00 0.00 56.01 55.49 3khp n LEU 183 Cb 0.19 -0.11 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 3khp n LEU 183 CO 0.17 0.30 0.73 -1.20 -1.33 0.00 0.00 177.39 176.07 3khp n SER 184 N 0.15 1.91 0.00 -1.43 7.64 -0.43 -4.96 113.62 116.51 3khp n SER 184 Ca 0.14 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.22 3khp n SER 184 Cb 0.27 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3khp n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khp n GLY 185 N 1.16 1.19 3.45 0.23 0.00 -0.71 -5.01 105.19 105.50 3khp n GLY 185 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3khp n GLY 185 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khp s ASP 186 N -0.38 6.49 0.00 1.61 -1.08 -1.18 -4.84 116.67 117.28 3khp s ASP 186 Ca 0.00 -1.73 0.13 0.00 -0.52 0.00 0.00 52.55 50.44 3khp s ASP 186 Cb 0.00 -2.41 0.52 0.00 -1.46 0.00 0.00 42.92 39.58 3khp s ASP 186 CO 0.00 -1.18 1.38 0.54 0.52 0.00 0.00 175.17 176.43 3khp n ARG 187 N 6.91 1.53 -1.67 4.34 5.12 -1.26 -4.52 116.66 127.11 3khp n ARG 187 Ca 0.16 -0.81 -0.48 0.00 -1.93 0.00 0.00 57.85 54.79 3khp n ARG 187 Cb 0.48 -1.27 -0.05 0.00 -1.16 0.00 0.00 32.46 30.46 3khp n ARG 187 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3khp n ASN 188 N 0.09 3.04 0.00 0.55 2.85 -1.26 -4.82 115.26 115.70 3khp n ASN 188 Ca 0.12 1.05 0.11 0.00 -0.11 0.00 0.00 54.58 55.75 3khp n ASN 188 Cb 0.22 -1.38 0.54 0.00 1.24 0.00 0.00 39.78 40.41 3khp n ASN 188 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3khp n PRO 189 N 4.36 0.25 -0.25 1.20 -0.04 -1.26 -2.20 135.00 137.06 3khp n PRO 189 Ca 0.19 0.08 0.30 0.00 -0.04 0.00 0.00 63.50 64.04 3khp n PRO 189 Cb 0.27 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 32.95 3khp n PRO 189 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3khp h LEU 190 N 0.00 0.05 -0.34 1.53 5.85 -1.88 -1.37 115.31 119.15 3khp h LEU 190 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3khp h LEU 190 Cb 0.25 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3khp h LEU 190 CO 0.00 0.01 -0.76 1.41 -0.34 0.00 0.00 178.44 178.76 3khp n HIS 191 N -4.27 0.00 0.00 1.25 -0.00 -0.94 -2.51 115.22 108.75 3khp n HIS 191 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 3khp n HIS 191 Cb 1.06 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 31.02 3khp n HIS 191 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3khp n SER 192 N -0.99 1.27 -4.04 0.41 3.41 -0.85 -4.61 113.62 108.22 3khp n SER 192 Ca 0.06 -0.08 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 3khp n SER 192 Cb 0.38 0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 64.58 3khp n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3khp s ASP 193 N -0.66 3.94 0.41 4.04 2.15 -0.58 -4.99 116.67 120.98 3khp s ASP 193 Ca 0.00 -1.15 0.08 0.00 0.43 0.00 0.00 52.55 51.92 3khp s ASP 193 Cb 0.00 -1.41 0.88 0.00 -0.30 0.00 0.00 42.92 42.09 3khp s ASP 193 CO 0.00 -0.16 2.03 -0.65 -0.17 0.00 0.00 175.17 176.21 3khp h PRO 194 N 7.87 0.41 0.34 4.34 0.11 -1.94 -0.57 132.00 142.55 3khp h PRO 194 Ca -0.24 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3khp h PRO 194 Cb 1.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3khp h PRO 194 CO 0.48 0.33 -0.31 2.35 -0.21 0.00 0.00 178.00 180.64 3khp h TRP 195 N 0.41 -0.83 -0.42 0.65 7.01 -1.94 -1.65 115.95 119.18 3khp h TRP 195 Ca 0.10 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 3khp h TRP 195 Cb 0.07 0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 3khp h TRP 195 CO 0.00 -0.45 0.12 0.35 -2.79 0.00 0.00 178.44 175.68 3khp h PHE 196 N -0.67 0.69 -0.84 2.65 3.57 -1.76 0.26 116.94 120.84 3khp h PHE 196 Ca -0.02 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.47 3khp h PHE 196 Cb 0.60 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3khp h PHE 196 CO -0.17 0.64 0.51 0.00 -2.23 0.00 0.00 178.31 177.05 3khp h ALA 197 N 0.97 1.16 0.11 2.41 0.00 -0.97 -1.70 119.26 121.25 3khp h ALA 197 Ca 0.13 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 3khp h ALA 197 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3khp h ALA 197 CO -0.00 0.23 -1.43 0.00 0.00 0.00 0.00 179.25 178.05 3khp h THR 198 N 0.92 1.00 0.01 0.00 1.03 -1.03 -0.46 112.91 114.38 3khp h THR 198 Ca 0.37 -2.39 -0.21 0.00 -0.01 0.00 0.00 66.41 64.17 3khp h THR 198 Cb 0.20 2.68 -0.00 0.00 -1.07 0.00 0.00 68.15 69.96 3khp h THR 198 CO -0.18 0.70 -0.92 1.56 -0.01 0.00 0.00 175.52 176.66 3khp h GLN 199 N -0.32 0.30 0.00 0.00 1.08 -0.41 -2.21 115.11 113.55 3khp h GLN 199 Ca -0.31 -0.33 -0.33 0.00 -1.45 0.00 0.00 58.65 56.23 3khp h GLN 199 Cb 1.75 0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 29.21 3khp h GLN 199 CO 0.05 1.03 -2.24 1.28 -0.95 0.00 0.00 178.83 178.00 3khp n LEU 200 N -3.69 0.15 -0.00 1.46 4.77 -0.65 -4.77 117.00 114.26 3khp n LEU 200 Ca -0.05 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 55.97 3khp n LEU 200 Cb 0.83 0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 42.24 3khp n LEU 200 CO 0.50 0.47 -0.43 0.00 -1.33 0.00 0.00 177.39 176.59 3khp n ALA 201 N -2.69 2.56 -0.45 -1.18 0.00 -1.11 -5.04 120.51 112.60 3khp n ALA 201 Ca -0.30 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3khp n ALA 201 Cb 1.08 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.23 3khp n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khp n GLY 202 N 1.77 0.76 3.91 0.00 0.00 -0.24 -4.94 105.19 106.45 3khp n GLY 202 Ca -0.01 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3khp n GLY 202 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khp s PHE 203 N -2.00 3.51 0.41 1.61 0.08 -0.82 -4.94 117.98 115.84 3khp s PHE 203 Ca 0.00 0.25 0.09 0.00 0.12 0.00 0.00 56.93 57.39 3khp s PHE 203 Cb 0.00 -1.76 0.88 0.00 -0.57 0.00 0.00 43.02 41.57 3khp s PHE 203 CO 0.00 0.59 2.02 -1.35 -0.10 0.00 0.00 175.22 176.38 3khp h PRO 204 N 3.16 0.36 -3.61 0.24 0.11 -1.96 -3.24 132.00 127.07 3khp h PRO 204 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3khp h PRO 204 Cb 1.16 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.09 3khp h PRO 204 CO 0.75 0.32 -0.16 -1.59 -0.21 0.00 0.00 178.00 177.12 3khp s LYS 205 N -5.15 1.25 0.53 1.05 -2.85 -1.26 -4.89 119.74 108.41 3khp s LYS 205 Ca -0.07 -1.02 -0.21 0.00 -1.00 0.00 0.00 55.97 53.67 3khp s LYS 205 Cb 0.17 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.32 3khp s LYS 205 CO 0.72 -0.49 1.14 -2.30 0.10 0.00 0.00 175.35 174.52 3khp n PRO 206 N -0.27 1.35 -3.87 1.78 -0.02 -1.26 -4.89 135.00 127.83 3khp n PRO 206 Ca -0.09 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 3khp n PRO 206 Cb 0.63 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 3khp n PRO 206 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3khp s ILE 207 N -1.36 5.34 0.46 4.25 -4.36 -1.04 -4.45 121.20 120.03 3khp s ILE 207 Ca 0.71 -0.34 -0.24 0.00 -0.26 0.00 0.00 60.65 60.52 3khp s ILE 207 Cb -0.45 -3.64 -0.07 0.00 1.25 0.00 0.00 42.46 39.54 3khp s ILE 207 CO 0.51 0.09 1.26 -0.22 0.24 0.00 0.00 174.94 176.81 3khp s LEU 208 N -2.64 4.06 0.20 0.37 2.96 0.52 -4.17 118.68 119.98 3khp s LEU 208 Ca 0.36 2.53 -0.32 0.00 -0.22 0.00 0.00 54.13 56.48 3khp s LEU 208 Cb -0.13 -4.12 -0.13 0.00 0.50 0.00 0.00 46.19 42.32 3khp s LEU 208 CO 0.27 -1.02 1.52 1.41 -1.32 0.00 0.00 176.35 177.21 3khp n HIS 209 N -0.36 2.31 -0.31 5.38 8.25 -1.26 -4.60 115.22 124.63 3khp n HIS 209 Ca 0.06 0.32 0.07 0.00 -0.26 0.00 0.00 57.72 57.92 3khp n HIS 209 Cb 0.46 -2.52 0.23 0.00 1.12 0.00 0.00 29.99 29.27 3khp n HIS 209 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3khp h GLY 210 N 5.21 1.44 2.00 -1.41 0.00 -1.95 -0.50 103.07 107.85 3khp h GLY 210 Ca -0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3khp h GLY 210 CO 0.83 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 178.69 3khp h LEU 211 N 0.70 0.00 -0.00 3.11 3.38 -1.96 -1.01 115.31 119.52 3khp h LEU 211 Ca 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 3khp h LEU 211 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3khp h LEU 211 CO -0.34 0.10 -0.01 0.00 0.09 0.00 0.00 178.44 178.28 3khp h THR 213 N -0.58 0.44 -0.59 0.00 2.02 -1.21 0.35 112.91 113.34 3khp h THR 213 Ca -0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3khp h THR 213 Cb 0.60 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3khp h THR 213 CO 0.00 0.04 0.29 0.22 0.37 0.00 0.00 175.52 176.44 3khp h TYR 214 N 0.21 0.84 -0.35 3.16 3.20 -1.08 -0.65 116.97 122.31 3khp h TYR 214 Ca 0.43 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.23 3khp h TYR 214 Cb 0.77 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3khp h TYR 214 CO -0.31 0.64 0.08 0.78 -1.64 0.00 0.00 178.16 177.70 3khp h GLY 215 N 0.80 0.55 0.53 1.82 0.00 -0.08 0.41 103.07 107.10 3khp h GLY 215 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3khp h GLY 215 CO -0.03 0.27 -0.00 -2.08 0.00 0.00 0.00 176.54 174.70 3khp h VAL 216 N 0.50 1.37 -0.93 4.60 2.07 -0.42 -1.34 116.25 122.10 3khp h VAL 216 Ca 0.12 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.64 3khp h VAL 216 Cb 0.21 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 3khp h VAL 216 CO -0.00 0.29 0.60 0.00 0.02 0.00 0.00 177.57 178.47 3khp h ALA 217 N 0.52 1.63 -0.69 1.67 0.00 -1.05 -1.21 119.26 120.14 3khp h ALA 217 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3khp h ALA 217 Cb 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3khp h ALA 217 CO 0.00 0.16 0.46 0.78 0.00 0.00 0.00 179.25 180.64 3khp h GLY 218 N 0.89 0.96 0.89 0.00 0.00 -0.50 -1.08 103.07 104.23 3khp h GLY 218 Ca 0.45 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 3khp h GLY 218 CO -0.21 0.33 -0.13 3.21 0.00 0.00 0.00 176.54 179.74 3khp h ARG 219 N 0.89 0.57 -0.65 4.80 3.08 -0.10 -1.40 114.38 121.57 3khp h ARG 219 Ca 0.26 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3khp h ARG 219 Cb -0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3khp h ARG 219 CO -0.06 0.81 0.43 0.00 -1.07 0.00 0.00 179.97 180.08 3khp h ALA 220 N 0.74 1.67 0.09 0.04 0.00 -0.84 -1.68 119.26 119.30 3khp h ALA 220 Ca 0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 3khp h ALA 220 Cb 0.64 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3khp h ALA 220 CO 0.04 0.25 -1.19 -0.07 0.00 0.00 0.00 179.25 178.27 3khp h LEU 221 N 0.74 0.84 -0.82 0.00 3.38 -1.00 -1.70 115.31 116.74 3khp h LEU 221 Ca 0.26 -0.75 0.09 0.00 0.09 0.00 0.00 57.88 57.57 3khp h LEU 221 Cb 0.12 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3khp h LEU 221 CO -0.08 1.56 0.48 0.58 0.09 0.00 0.00 178.44 181.07 3khp h VAL 222 N 0.28 0.93 0.29 1.22 2.07 -1.04 -1.11 116.25 118.90 3khp h VAL 222 Ca -0.17 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3khp h VAL 222 Cb 1.86 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3khp h VAL 222 CO 0.23 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 177.83 3khp h ALA 223 N 1.44 -0.39 -0.10 1.67 0.00 -1.22 0.21 119.26 120.87 3khp h ALA 223 Ca 0.39 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3khp h ALA 223 Cb 0.32 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3khp h ALA 223 CO -0.23 -0.51 -0.47 1.49 0.00 0.00 0.00 179.25 179.53 3khp h GLU 224 N -0.80 0.48 0.00 0.00 4.57 -1.23 -3.12 114.58 114.49 3khp h GLU 224 Ca -0.04 -0.39 -0.32 0.00 -1.18 0.00 0.00 59.36 57.43 3khp h GLU 224 Cb 0.51 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.12 3khp h GLU 224 CO 0.07 1.02 -2.19 1.28 -1.18 0.00 0.00 179.01 178.00 3khp n LEU 225 N -4.27 0.30 -0.72 1.64 4.77 -0.45 -4.52 117.00 113.75 3khp n LEU 225 Ca -0.08 -0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3khp n LEU 225 Cb 0.58 0.31 0.29 0.00 -2.33 0.00 0.00 43.42 42.27 3khp n LEU 225 CO 0.45 0.47 0.73 0.61 -1.33 0.00 0.00 177.39 178.33 3khp n GLY 226 N 1.98 0.50 2.27 -0.72 0.00 -0.89 -4.86 105.19 103.47 3khp n GLY 226 Ca -0.29 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3khp n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 227 N 1.27 0.29 2.29 -0.02 0.00 -0.87 -1.24 105.19 106.92 3khp n GLY 227 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3khp n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 228 N -1.15 0.38 3.40 -0.02 0.00 0.67 -4.97 105.19 103.50 3khp n GLY 228 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3khp n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khp s VAL 229 N -1.77 4.77 0.15 1.61 1.01 -0.37 -4.92 120.40 120.88 3khp s VAL 229 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3khp s VAL 229 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3khp s VAL 229 CO 0.00 -0.24 1.56 0.00 0.00 0.00 0.00 175.10 176.42 3khp h ALA 230 N 8.49 -0.55 -1.08 5.51 0.00 -1.88 -1.49 119.26 128.26 3khp h ALA 230 Ca -0.26 0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.01 3khp h ALA 230 Cb 1.11 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 3khp h ALA 230 CO 0.68 -0.93 0.87 0.00 0.00 0.00 0.00 179.25 179.87 3khp h ALA 231 N 0.29 2.97 0.00 0.00 0.00 -1.94 -0.92 119.26 119.66 3khp h ALA 231 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3khp h ALA 231 Cb 0.58 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3khp h ALA 231 CO -0.62 -1.43 0.00 0.09 0.00 0.00 0.00 179.25 177.29 3khp n ASN 232 N -3.93 0.00 -4.59 0.00 3.02 -0.56 -4.59 115.26 104.61 3khp n ASN 232 Ca 0.23 0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.50 3khp n ASN 232 Cb 1.23 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 39.96 3khp n ASN 232 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khp s ILE 233 N -2.68 5.23 -0.22 2.41 -1.09 -0.35 -0.94 121.20 123.56 3khp s ILE 233 Ca 0.18 0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.71 3khp s ILE 233 Cb 0.15 -3.64 -0.18 0.00 -1.58 0.00 0.00 42.46 37.21 3khp s ILE 233 CO 0.35 0.16 0.12 0.41 -1.23 0.00 0.00 174.94 174.76 3khp n THR 234 N 5.11 1.53 -4.01 2.92 -1.04 -0.15 -4.77 114.28 113.87 3khp n THR 234 Ca -0.11 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 3khp n THR 234 Cb 0.51 -2.03 -0.11 0.00 -1.82 0.00 0.00 70.33 66.88 3khp n THR 234 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3khp s SER 235 N -6.91 0.37 -0.06 8.00 1.04 -1.06 0.11 113.70 115.20 3khp s SER 235 Ca -0.30 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.51 3khp s SER 235 Cb 0.07 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3khp s SER 235 CO 0.57 -0.33 0.15 -0.63 0.98 0.00 0.00 173.24 173.97 3khp s ILE 236 N -1.84 -0.03 0.00 -1.02 1.01 -1.00 -1.68 121.20 116.65 3khp s ILE 236 Ca -0.11 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3khp s ILE 236 Cb -0.07 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 3khp s ILE 236 CO -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 174.94 174.93 3khp s ALA 237 N 0.75 0.21 0.12 9.38 0.00 -0.73 -1.16 121.76 130.34 3khp s ALA 237 Ca -0.06 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 3khp s ALA 237 Cb -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.08 3khp s ALA 237 CO -0.04 0.02 0.51 0.00 0.00 0.00 0.00 175.76 176.25 3khp s ALA 238 N -0.32 -1.30 -0.18 0.00 0.00 -0.72 -1.45 121.76 117.78 3khp s ALA 238 Ca -0.02 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 3khp s ALA 238 Cb -0.03 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 3khp s ALA 238 CO -0.00 -0.66 0.06 0.50 0.00 0.00 0.00 175.76 175.66 3khp s ARG 239 N -3.44 3.96 -0.42 0.00 3.52 0.20 -1.35 118.95 121.41 3khp s ARG 239 Ca 0.00 -0.34 -0.25 0.00 -0.13 0.00 0.00 55.73 55.01 3khp s ARG 239 Cb 0.00 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3khp s ARG 239 CO -0.10 0.30 0.90 -0.06 -0.81 0.00 0.00 175.30 175.53 3khp s PHE 240 N 0.31 2.99 -0.24 5.12 0.08 0.19 -1.23 117.98 125.20 3khp s PHE 240 Ca 0.04 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.58 3khp s PHE 240 Cb -0.12 -3.80 -0.15 0.00 -0.57 0.00 0.00 43.02 38.38 3khp s PHE 240 CO 0.00 -0.97 -0.23 0.25 -0.10 0.00 0.00 175.22 174.17 3khp n THR 241 N 6.21 1.36 -3.93 0.64 -2.24 -0.64 0.37 114.28 116.05 3khp n THR 241 Ca 0.06 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3khp n THR 241 Cb 0.48 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 67.19 3khp n THR 241 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3khp s LYS 242 N -2.47 0.61 0.69 -0.78 1.02 -1.24 -4.70 119.74 112.87 3khp s LYS 242 Ca -0.33 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 3khp s LYS 242 Cb 0.09 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 3khp s LYS 242 CO 0.53 -0.15 1.07 -1.25 -0.92 0.00 0.00 175.35 174.62 3khp s PRO 243 N -2.76 2.88 0.05 -1.68 0.05 -1.26 -4.70 135.00 127.58 3khp s PRO 243 Ca -0.04 1.04 0.08 0.00 0.05 0.00 0.00 61.00 62.14 3khp s PRO 243 Cb -0.00 -1.98 -0.03 0.00 0.05 0.00 0.00 34.50 32.54 3khp s PRO 243 CO -0.05 -1.15 -0.20 0.08 0.05 0.00 0.00 177.00 175.73 3khp s VAL 244 N -2.91 2.63 -0.08 -0.36 1.01 -1.26 -4.99 120.40 114.44 3khp s VAL 244 Ca 0.60 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3khp s VAL 244 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3khp s VAL 244 CO 0.52 0.31 0.06 -0.36 0.00 0.00 0.00 175.10 175.62 3khp s PHE 245 N -0.93 3.32 0.29 5.22 0.08 -1.26 -0.36 117.98 124.34 3khp s PHE 245 Ca 0.14 0.30 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 3khp s PHE 245 Cb -0.10 -1.83 -0.11 0.00 -0.57 0.00 0.00 43.02 40.41 3khp s PHE 245 CO 0.05 0.57 1.54 -2.14 -0.10 0.00 0.00 175.22 175.13 3khp s PRO 246 N -1.07 4.16 0.00 0.24 0.02 -1.26 -2.01 135.00 135.08 3khp s PRO 246 Ca 0.15 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3khp s PRO 246 Cb -0.12 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3khp s PRO 246 CO 0.05 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3khp n GLY 247 N 1.96 2.72 3.83 0.52 0.00 -1.08 -4.34 105.19 108.79 3khp n GLY 247 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3khp n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khp s GLU 248 N -0.41 4.01 -0.18 1.61 2.02 -0.85 -4.50 118.70 120.40 3khp s GLU 248 Ca 0.00 1.08 -0.14 0.00 0.02 0.00 0.00 54.97 55.93 3khp s GLU 248 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 3khp s GLU 248 CO 0.00 -0.23 0.31 0.99 0.02 0.00 0.00 175.26 176.36 3khp s THR 249 N -2.37 5.28 -0.36 3.63 2.01 -1.26 -2.75 115.64 119.82 3khp s THR 249 Ca 0.61 0.56 -0.15 0.00 0.31 0.00 0.00 61.69 63.02 3khp s THR 249 Cb -0.11 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3khp s THR 249 CO 0.23 0.34 0.37 -0.76 -0.69 0.00 0.00 174.62 174.11 3khp s LEU 250 N 0.78 4.54 -0.41 4.42 1.43 0.40 -4.40 118.68 125.43 3khp s LEU 250 Ca 0.16 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 3khp s LEU 250 Cb -0.14 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.77 3khp s LEU 250 CO 0.05 -0.38 0.48 -0.44 0.23 0.00 0.00 176.35 176.30 3khp s SER 251 N 1.74 6.23 -0.37 2.29 0.01 0.16 -0.30 113.70 123.46 3khp s SER 251 Ca 0.11 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 3khp s SER 251 Cb -0.17 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3khp s SER 251 CO 0.12 -0.60 0.38 -0.89 0.41 0.00 0.00 173.24 172.66 3khp s THR 252 N 2.30 5.15 -0.22 1.44 2.01 -0.11 -1.28 115.64 124.93 3khp s THR 252 Ca 0.15 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 3khp s THR 252 Cb -0.16 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3khp s THR 252 CO 0.15 -0.21 0.15 0.68 -0.69 0.00 0.00 174.62 174.70 3khp s VAL 253 N 2.03 5.38 0.07 3.82 -7.23 0.78 -1.31 120.40 123.94 3khp s VAL 253 Ca 0.11 0.21 0.07 0.00 -1.81 0.00 0.00 61.98 60.56 3khp s VAL 253 Cb -0.17 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 3khp s VAL 253 CO 0.12 0.40 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.48 3khp s ILE 254 N 0.66 1.60 -0.10 -0.62 1.01 0.12 -1.48 121.20 122.39 3khp s ILE 254 Ca 0.08 -1.31 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 3khp s ILE 254 Cb -0.12 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 40.95 3khp s ILE 254 CO 0.01 0.07 -0.02 0.26 0.00 0.00 0.00 174.94 175.26 3khp s TRP 255 N -0.96 0.97 -0.04 3.97 0.51 -0.30 -0.71 118.94 122.39 3khp s TRP 255 Ca 0.06 -0.45 -0.30 0.00 -2.12 0.00 0.00 56.10 53.29 3khp s TRP 255 Cb -0.09 -0.97 -0.04 0.00 -0.81 0.00 0.00 33.47 31.56 3khp s TRP 255 CO 0.03 -0.43 1.25 1.03 -0.51 0.00 0.00 176.95 178.32 3khp s ARG 256 N 1.87 4.34 -0.12 4.98 0.52 -1.26 -1.46 118.95 127.82 3khp s ARG 256 Ca 0.04 1.74 0.04 0.00 -0.52 0.00 0.00 55.73 57.03 3khp s ARG 256 Cb -0.13 -3.56 -0.10 0.00 0.52 0.00 0.00 34.95 31.68 3khp s ARG 256 CO -0.06 -0.47 -0.06 0.25 0.02 0.00 0.00 175.30 174.97 3khp n THR 257 N 4.61 0.74 -3.63 0.02 -2.24 -0.87 -4.98 114.28 107.93 3khp n THR 257 Ca 0.11 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3khp n THR 257 Cb 0.46 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 3khp n THR 257 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3khp s GLU 258 N -2.26 0.70 -0.02 -0.78 2.12 -1.19 -5.03 118.70 112.25 3khp s GLU 258 Ca -0.13 0.83 -0.40 0.00 0.36 0.00 0.00 54.97 55.63 3khp s GLU 258 Cb 0.04 0.34 -0.19 0.00 0.26 0.00 0.00 34.13 34.58 3khp s GLU 258 CO 0.35 -0.08 1.18 -2.30 -0.54 0.00 0.00 175.26 173.87 3khp n PRO 259 N 2.48 0.29 -1.01 4.30 -0.02 -1.26 0.20 135.00 139.99 3khp n PRO 259 Ca -0.13 0.10 -0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3khp n PRO 259 Cb 0.55 -1.64 -0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3khp n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khp n GLY 260 N 1.96 0.46 2.93 -1.23 0.00 -1.26 -5.01 105.19 103.05 3khp n GLY 260 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3khp n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khp s ARG 261 N -0.43 0.16 0.21 1.61 1.81 0.13 -1.16 118.95 121.29 3khp s ARG 261 Ca 0.00 -0.29 -0.14 0.00 -1.72 0.00 0.00 55.73 53.58 3khp s ARG 261 Cb 0.00 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.57 3khp s ARG 261 CO 0.00 -0.03 0.47 0.00 -0.68 0.00 0.00 175.30 175.06 3khp s ALA 262 N -0.71 -0.48 0.20 2.13 0.00 -0.37 -2.05 121.76 120.48 3khp s ALA 262 Ca -0.08 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3khp s ALA 262 Cb -0.05 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 3khp s ALA 262 CO -0.00 -0.80 -0.15 0.14 0.00 0.00 0.00 175.76 174.94 3khp s VAL 263 N -3.95 1.75 0.20 0.00 -7.23 -0.53 -0.62 120.40 110.02 3khp s VAL 263 Ca 0.16 -2.17 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 3khp s VAL 263 Cb -0.00 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 34.96 3khp s VAL 263 CO 0.03 -0.56 0.58 0.72 -0.31 0.00 0.00 175.10 175.56 3khp s PHE 264 N -2.84 -0.24 0.12 2.82 -0.12 -0.24 -1.14 117.98 116.33 3khp s PHE 264 Ca 0.21 -0.09 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 3khp s PHE 264 Cb -0.01 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3khp s PHE 264 CO 0.07 -0.95 -0.10 1.03 -0.05 0.00 0.00 175.22 175.21 3khp s ARG 265 N -3.85 0.93 -0.05 1.99 0.52 -0.55 -0.96 118.95 116.98 3khp s ARG 265 Ca 0.07 -1.28 0.05 0.00 -0.52 0.00 0.00 55.73 54.05 3khp s ARG 265 Cb -0.02 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 3khp s ARG 265 CO -0.04 0.07 -0.20 0.99 0.02 0.00 0.00 175.30 176.15 3khp s THR 266 N -2.86 2.54 0.13 0.02 2.01 -0.36 -0.16 115.64 116.96 3khp s THR 266 Ca 0.10 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 3khp s THR 266 Cb -0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3khp s THR 266 CO -0.00 0.58 0.05 -1.61 -0.69 0.00 0.00 174.62 172.95 3khp s GLU 267 N -0.46 0.94 -0.24 4.92 2.02 -0.40 -0.79 118.70 124.68 3khp s GLU 267 Ca 0.05 -1.44 -0.00 0.00 0.02 0.00 0.00 54.97 53.60 3khp s GLU 267 Cb -0.12 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.36 3khp s GLU 267 CO 0.01 -0.25 -0.09 0.08 0.02 0.00 0.00 175.26 175.03 3khp s VAL 268 N -4.03 2.59 0.26 2.63 1.01 -0.22 -0.67 120.40 121.97 3khp s VAL 268 Ca 0.24 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3khp s VAL 268 Cb 0.07 -2.32 -0.14 0.00 0.00 0.00 0.00 36.38 33.99 3khp s VAL 268 CO 0.02 0.20 1.31 0.00 0.00 0.00 0.00 175.10 176.63 3khp n ALA 269 N 4.61 0.77 -1.00 5.51 0.00 -1.26 -1.91 120.51 127.24 3khp n ALA 269 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3khp n ALA 269 Cb 0.46 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3khp n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khp n GLY 270 N 1.76 1.19 0.00 0.00 0.00 -1.26 -4.87 105.19 102.01 3khp n GLY 270 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3khp n GLY 270 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3khp n GLU 275 N 0.00 0.00 -2.58 1.61 -0.00 -1.26 -5.11 120.64 113.30 3khp n GLU 275 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.79 3khp n GLU 275 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.40 3khp n GLU 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3khp s ALA 276 N 0.00 3.13 -0.29 -1.84 0.00 -1.26 -5.02 121.76 116.47 3khp s ALA 276 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 3khp s ALA 276 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3khp s ALA 276 CO 0.00 -0.15 0.27 0.50 0.00 0.00 0.00 175.76 176.38 3khp s ARG 277 N -2.37 3.90 -0.05 0.00 3.52 -0.80 -4.94 118.95 118.20 3khp s ARG 277 Ca 0.56 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.62 3khp s ARG 277 Cb -0.22 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.46 3khp s ARG 277 CO 0.28 -0.27 1.05 0.08 -0.81 0.00 0.00 175.30 175.63 3khp s VAL 278 N 1.88 4.66 -0.07 7.11 1.01 -1.26 -1.06 120.40 132.67 3khp s VAL 278 Ca 0.10 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.08 3khp s VAL 278 Cb -0.16 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 3khp s VAL 278 CO 0.11 0.06 0.08 1.33 0.00 0.00 0.00 175.10 176.68 3khp n VAL 279 N 4.30 0.44 -4.80 2.92 0.24 0.03 -3.89 118.33 117.56 3khp n VAL 279 Ca 0.08 -0.33 -0.27 0.00 -2.04 0.00 0.00 64.34 61.78 3khp n VAL 279 Cb 0.49 -0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 32.21 3khp n VAL 279 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3khp s LEU 280 N -4.37 1.80 0.31 1.34 1.43 -0.75 -1.62 118.68 116.81 3khp s LEU 280 Ca -0.04 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3khp s LEU 280 Cb 0.04 -1.03 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 3khp s LEU 280 CO 0.37 0.08 0.06 -0.62 0.23 0.00 0.00 176.35 176.46 3khp s ASP 281 N 0.56 2.14 -1.51 2.29 -1.08 -0.37 -1.22 116.67 117.48 3khp s ASP 281 Ca -0.16 -1.37 -0.13 0.00 -0.52 0.00 0.00 52.55 50.37 3khp s ASP 281 Cb -0.17 -0.04 0.09 0.00 -1.46 0.00 0.00 42.92 41.35 3khp s ASP 281 CO 0.05 -0.62 0.83 0.47 0.52 0.00 0.00 175.17 176.42 3khp n ASP 282 N -0.63 -4.43 -4.75 -0.34 8.00 -1.26 -0.63 116.55 112.50 3khp n ASP 282 Ca -0.02 -0.71 -0.41 0.00 0.71 0.00 0.00 54.79 54.37 3khp n ASP 282 Cb 0.66 -3.57 -0.03 0.00 -0.02 0.00 0.00 41.12 38.15 3khp n ASP 282 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3khp s GLY 283 N -3.13 2.90 -0.01 0.44 0.00 -0.14 -4.47 107.32 102.92 3khp s GLY 283 Ca 0.61 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.33 3khp s GLY 283 CO 0.75 1.73 0.01 0.00 0.00 0.00 0.00 173.10 175.59 3khp s ALA 284 N -0.77 0.06 -0.01 3.20 0.00 -0.53 -1.08 121.76 122.62 3khp s ALA 284 Ca 0.48 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3khp s ALA 284 Cb -0.34 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3khp s ALA 284 CO 0.42 -0.05 -0.04 0.08 0.00 0.00 0.00 175.76 176.18 3khp s VAL 285 N 0.48 0.37 -0.06 0.00 1.01 0.21 -1.77 120.40 120.64 3khp s VAL 285 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3khp s VAL 285 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3khp s VAL 285 CO -0.01 0.12 -0.17 -1.61 0.00 0.00 0.00 175.10 173.43 3khp s GLU 286 N 0.14 2.60 0.06 2.72 2.02 -0.67 -1.23 118.70 124.33 3khp s GLU 286 Ca -0.01 -0.76 -0.16 0.00 0.02 0.00 0.00 54.97 54.06 3khp s GLU 286 Cb -0.05 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.87 3khp s GLU 286 CO -0.00 0.51 0.37 1.52 0.02 0.00 0.00 175.26 177.68 3khp s TYR 287 N -0.46 -0.19 -0.20 1.61 -0.85 -0.31 -0.98 117.35 115.98 3khp s TYR 287 Ca 0.05 0.05 -0.17 0.00 -0.52 0.00 0.00 57.07 56.48 3khp s TYR 287 Cb -0.12 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 3khp s TYR 287 CO 0.02 -0.58 0.46 0.08 -1.52 0.00 0.00 175.55 174.02 3khp s VAL 288 N -2.81 5.15 -2.00 -3.49 1.01 -0.12 -4.27 120.40 113.86 3khp s VAL 288 Ca -0.03 0.84 0.12 0.00 0.00 0.00 0.00 61.98 62.91 3khp s VAL 288 Cb -0.00 -3.79 0.33 0.00 0.00 0.00 0.00 36.38 32.92 3khp s VAL 288 CO -0.05 0.21 1.14 0.00 0.00 0.00 0.00 175.10 176.40